Publications
115
Electronic Structures and Spin Frustration in Ln 3O Neutrals and Anions Determined by Anion Photoelectron Spectroscopy
Caleb D. Huizenga, Shivangi Vaish, Lee M. Thompson, and Caroline Chick Jarrold, Journal of Chemical Physics, 2025, 162, 054301 1-18. https://doi.org/10.1063/5.0249692
Publication Link114
Photoelectron-Remnant Interaction Effect on Remnant Wavefunction in Low-Kinetic Energy Electron Detachment Events
Adam M. Kinyua, Hrant P. Hratchian, Caroline Chick Jarrold, and Lee M. Thompson, Journal of Chemical Physics, 2025, 162, 064304 1-14. https://doi.org/10.1063/5.0245067
Publication Link113
Anion Photoelectron Imaging Spectroscopy of C6F5X- (X = F, Cl, Br, I)
Kristen Rose McGinnis, Conor J. McGee, Thomas Sommerfeld, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 2024, 128, 5646-5658. https://pubs.acs.org/doi/10.1021/acs.jpca.4c03434
112
Electronic Structures of Small Stoichiometric ZnxOx Clusters
Shivangi Vaish, Abigail O. Gyamfi, Caleb D. Huizenga, Hrant P. Hratchian, and Caroline Chick Jarrold, Journal of Physical Chemistry A , 2024, 128, 6450 - 6460. https://pubs.acs.org/doi/epdf/10.1021/acs.jpca.4c03613
111
Isomer-dependent Electron Affinities of Fluorophenyl Radicals, .C6H(5-x)Fx (2
Kristen Rose McGinnis, Conor J. McGee, and Caroline Chick Jarrold, Journal of the American Chemical Society, 2024, 146, 7063-7075. https://pubs.acs.org/doi/full/10.1021/jacs.4c00556
110
Trend in the Electron Affinities of Fluorophenyl Radicals, .C6H(5-x)Fx
Conor J. McGee, Kristen Rose McGinnis, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 2023, 127, 7264-7273. https://doi.org/10.1021/acs.jpca.3c04327
109
Anion Photoelectron Imaging Spectroscopy of C6HF5, C6F6, and the Absence of C6H2F4-
Conor J. McGee, Kristen Rose McGinnis, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 2023, 127, 8556-8565. https://doi.org/10.1021/acs.jpca.3c04016
108
Electronic Structure of Heteronuclear Cerium-Platinum Clusters
Jarrett L. Mason, Caleb D. Huizenga, Manisha Ray, Jared O. Kafader, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 2023, 127, 6749-6763. https://pubs.acs.org/doi/10.1021/acs.jpca.3c03738
107
Charge Distribution in Oxygen-Fluorobenzene Complex Anions [O2.C6H(6-n)Fn]- (n = 0 - 6)]
Jeremy U. Davis, Caroline Chick Jarrold, and Thomas Sommerfeld, Chemical Physics, 574, 112023 1-9 (2023). https://doi.org/10.1016/j.chemphys.2023.112023
106
Virtual Special Issue: Experiment-Theory Synergies in the Study of Metal- and Metal-Containing Clusters.
Christine M. Aikens and Caroline Chick Jarrold, Journal of Physical Chemistry A, 2023, 127, 3-5. https://doi.org/10.1021/acs.jpca.2c08524
105
Probing Anion-Molecule Complexes of Atmospheric Relevance using Anion Photoelectron Detachment Spectroscopy
Caroline Chick Jarrold, ACS Physical Chemistry Au,2023, 3, 17-29. https://doi.org/10.1021/acsphyschemau.2c00060
104
Identification of Stable Perfluorocarbons Formed by Hyperthermal Decomposition of Graphite Fluoride using Anion Photoelectron Spectroscopy
Brett A. Williams, Allen R. Siedle, and Caroline Chick Jarrold, Journal of Physical Chemistry C, 126 9965-9978 (2022). https://doi.org/10.1021/acs.jpcc.2c02180
103
Identification of Isoprene Oxidation Reaction Products via Anion Photoelectron Spectroscopy
Marissa A. Dobulis, Michael C. Thompson, and Caroline Chick Jarrold, Journal of Physical Chemistry A125, 10089-10102 (2021). https://doi.org/10.1021/acs.jpca.1c08176
102
New Photoelectron-Valence Electron Interactions Evident in the Photoelectron Spectrum of Gd2O-
Jarrett L. Mason, Hassan Harb, Ali Abou Taka, Caleb D. Huizenga, Hector H. Corzo, Hrant P. Hratchian, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 125, 9892–9903 (2021). https://doi.org/10.1021/acs.jpca.1c07818
101
Autodetachment over Broad Photon Energy Ranges in the Anion Photoelectron Spectra of [O2-M]- (M = Glyoxal, Methylglyoxal, or Biacetyl) Complex Anions
Marissa A. Dobulis, Conor J. McGee, Thomas Sommerfeld, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 125, 9128-9142 (2021). https://doi.org/10.1021/acs.jpca.1c07163
100
Lanthanide Oxides: From Diatomics to High-Spin, Strongly Correlated Homo- and Heterometallic Clusters
Caleb Huizenga, Hrant P. Hratchian, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 125, 5315-6331 (2021). https://doi.org/10.1021/acs.jpca.1c04253
99
More than little fragments of matter: Electronic and molecular structures of clusters
Jarrett L. Mason, Carley N. Folluo, and Caroline Chick Jarrold, Journal of Chemical Physics, 154, 200901 1-17 (2021). https://doi.org/10.1063/5.0054222
98
Photoelectron Spectra of Gd2O2- and non-monotonic photon-energy dependent variations in populations of close-lying neutral states
"Photoelectron Spectra of Gd2O2- and non-monotonic photon-energy dependent variations in populations of close-lying neutral states," Jarrett Mason, Hassan Harb, Ali Abou Taka, Abbey McMahon, Caleb Huizenga, Hector Corzon, Hrant Hratchian, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 125, 857-866 (2021). ACS EDITORS' CHOICE http://pubs.acs.org/doi/full/10.1021/acs.jpca.0c11002
97
Synthesis and laser ablation of nitrogen-doped carbon materials
"Synthesis and laser ablation of nitrogen-doped carbon materials," Brett Williams, Marissa Dobulis, Yaroslav Losovyj, Ulrike Werner-Zwanziger, Allen Siedle, and Caroline Chick Jarrold, Journal of Physical Chemistry C, 125, 1570-1577 (2021). https://pubs.acs.org/doi/full/10.1021/acs.jpcc.0c10322
96
Using anion photoelectron spectroscopy of cluster models to gain insights into mechanisms of catalyst-mediated H2 production from water
"Using anion photoelectron spectroscopy of cluster models to gain insights into mecahnisms of catalyst -mediated H2 production from water." Abbey J. McMahon and Caroline Chick Jarrold, Phys. Chem. Chem. Phys. (2020) DOI: 10.1039/d0cp05055e
95
Temporary anion states of fluorine substituted benzenes probed by charge transfer in O2-·C6H6-xFx (x = 0 − 5) ion-molecule complexes
“Temporary anion states of fluorine substituted benzenes probed by charge transfer in O2-·C6H6-xFx (x = 0 − 5) ion-molecule complexes,” Marissa A. Dobulis, Michael C. Thompson, Thomas Sommerfeld, and Caroline Chick Jarrold, Journal of Chemical Phyics, 152, 204309 1-10 (2020). https://doi.org/10.1063/5.0011321
94
Emerging Non-Valence Anion States of [Isoprene-H·]·H2O Accessed via Detachment of OH−·Isoprene
Emerging Non-Valence Anion States of [Isoprene-H·]·H2O Accessed via Detachment of OH−·Isoprene,” Marissa A. Dobulis, Michael C. Thompson, Kellyn M. Patros, Thomas Sommerfeld, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 124, 2279-2287 (2020). https://pubs.acs.org/doi/10.1021/acs.jpca.0c01250
93
The striking influence of oxiphilicity differences in heterometallic oxide cluster reactions with water
“The striking influence of oxiphilicity differences in heterometallic oxide cluster reactions with water,” by Jarrett L. Mason, Ankur K. Gupta, Abbey J. McMahon, Carley N. Folluo, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics, 152, 054301 1-11 (2020). https://doi.org/10.1063/1.5142398
92
Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules
“Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules,” Jarrett L. Mason, Hassan Harb, Josey E. Topolski, Hrant P. Hratchian and Caroline Chick Jarrold, Accounts of Chemical Research, 52, 3265-3273 (2019). https://dx.doi.org/10.1021/acs.accounts.9b00474
91
Mo-Insertion into the H2 Bond in MoxSy- + H2 Reactions
“ Mo-Insertion into the H 2 Bond in Mo xS y- + H 2 Reactions ,” Ankur Gupta, Josey E. Topolski, Kathleen Nickson, Caroline Chick Jarrold, and Krishnan Raghavachari, Journal of Physical Chemistry A, 123, 7261-7269 (2019). http://dx.doi.org/10.1021/acs.jpca.9b04079 LeoRadom Festschrift
90
Electronic and Molecular Structures of the CeB6 Monomer
“Electronic and Molecular Structures of the CeB6 Monomer,” Jarrett L. Mason, Hassan Harb, Caleb D. Huizenga, Joshua Ewigleben, Josey E. Topolski, Hrant P. Hratchian, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 123, 2040-2048 (2019). DOI 10.1021/acs.jpca.8b12399 Hanna Reisler Festschrift
89
Vibrationally resolved photoelectron spectrum of ZnBr-
“Vibrationally resolved photoelectron spectrum of ZnBr-,” by Jarrett L. Mason, Joshua Ewigleben, and Caroline Chick Jarrold,Journal of Molecular Spectroscopy, 357, 38-40 (2019). https://doi.org/10.1016/j.jms.2019.02.003
88
Probing alkenoxy radical electronic structure using anion PEI spectroscopy
"Probing alkenoxy radical electronic structure using anion PEI spectroscopy," Kellyn M. Patros, Jennifer E. Mann, Marissa A. Dobulis, Michael C. Thompson, and Caroline Chick Jarrold, Journal of Chemical Physics, 150, 034301 1-11 (2019). https://doi.org/10.1063/1.5064795
87
Photoelectrons are NOT Always Quite Free
"Photoelectrons are NOT Always Quite Free," Jarrett L. Mason, Josey E. Topolski, Joshua C. Ewigleben, Srinivasan S. Iyengar, and Caroline Chick Jarrold, Journal of Physical Chemistry Letters, 10, 144-149 (2019). https://pubs.acs.org/doi/10.1021/acs.jpclett.8b03253
86
A tale of two stabilities: How one boron atom affects a switch in bonding motifs in CeO2Bx- (x = 2, 3) complexes
“A tale of two stabilities: How one boron atom affects a switch in bonding motifs in CeO2Bx- (x = 2, 3) complexes,” Jarrett L. Mason, Hassan Harb, Josey E. Topolski, Hrant P. Hratchian, Caroline Chick Jarrold, Journal of Physical Chemistry A, 122, 9879-9885 (2018). https://doi.org/10.1021/acs.jpca.8b10446
85
Evidence of CF2 Loss from Fluorine-rich Cluster Anions Generated from Laser Ablation of Graphite Fluoride
“Evidence of CF2 Loss from Fluorine-rich Cluster Anions Generated from Laser Ablation of Graphite Fluoride,” Brett A. Williams, Allen R.Siedle, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 122, 9894-9900 (2018). https://pubs.acs.org/doi/full/10.1021/acs.jpca.8b09983
84
Hydrogen Evolution from Water Reactions with Molybdenum Sulfide Cluster Anions
“Hydrogen Evolution from Water Reactions with Molybdenum Sulfide Cluster Anions,” Josey E. Topolski, Ankur K. Gupta, Kathleen A. Nickson, Krishnan Raghavachari, and Caroline Chick Jarrold, International Journal of Mass Spectrometry, 434, 193-201 (2018). https://doi.org/10.1016/j.ijms.2018.09.019
83
Exotic electronic structures of SmxCe3-xOy (x = 0-3; y = 2-4) clusters, and the effect of high neutral density of low-lying states on photodetachment transition intensities
“ Exotic electronic structures of Sm xCe 3- xO y ( x = 0-3; y = 2-4) clusters, and the effect of high neutral density of low-lying states on photodetachment transition intensities ,” Josey E. Topolski, Jared O. Kafader, Vicmarie Marrero-Colón, Srinivasan S. Iyengar, Hrant P. Hratchian, and Caroline Chick Jarrold, Journal of Chemical Physics, 149, 054305 1-17 (2018). https://doi.org/10.1063/1.5043490
82
Mechanistic Role of Two-State Reactivity in a Molecular MoS2 Edge-Site Analogue for Hydrogen Evolution Electrocatalysis
“Mechanistic Role of Two-State Reactivity in a Molecular MoS2 Edge-Site Analogue for Hydrogen Evolution Electrocatalysis," Richard Schaugaard, Caroline Chick Jarrold, and Krishnan Raghavachari, Inorganic Chemistry, 57, 9167-9174 (2018). https://doi.org/10.1021/acs.inorgchem.8b01184
81
Insight into Ethylene Interactions with Molybdenum Suboxide Cluster Anions from Photoelectron Spectra of Chemifragments
"Insight into Ethylene Interactions with Molybdenum Suboxide Cluster Anions from Photoelectron Spectra of Chemifragments," Richard N. Schaugaard, Josey E. Topolski (RNS and JET co-first authors), Manisha Ray, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics, 148, 054308 1-13 (2018). https://doi.org/10.1063/1.5008264
80
Molybdenum Oxide Cluster Anion Reactions with C2H4 and H2O: Cooperativity and Chemifragmentation
“Molybdenum Oxide Cluster Anion Reactions with C2H4 and H2O: Cooperativity and Chemifragmentation,” Manisha Ray, Richard N. Schaugaard, Josey E. Topolski, Jared O. Kafader, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Physical Chemistry A,122, 41-52 (2018). http://dx.doi.org/10.1021/acs.jpca.7b10798
79
Ce in the +4 oxidation state: Anion photoelectron spectroscopy and photodissociation of small CexOyHz- molecules
“Ce in the +4 oxidation state: Anion photoelectron spectroscopy and photodissociation of small CexOyHz- molecules,” Josey E. Topolski, Jared O. Kafader, and Caroline Chick Jarrold, Journal of Chemical Physics, 147, 104303 1-10 (2017). http://dx.doi.org/10.1063/1.4996133
78
O2−·[Polar VOC] Complexes: H-bonding versus Charge-dipole Interactions, and the Non-innocence of Formaldehyde
"O2−·[Polar VOC] Complexes: H-bonding versus Charge-dipole Interactions, and the Non-innocence of Formaldehyde," Kellyn M. Patros, Jennifer E. Mann, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 121, 5459-5467 (2017). https://doi.org/10.1021/acs.jpca.7b05124
77
The electron shuffle: Cerium influences samarium 4f orbital occupancy in heteronuclear Ce-Sm oxide clusters
"The electron shuffle: Cerium influences samarium 4f orbital occupancy in heteronuclear Ce-Sm oxide clusters," Jared O. Kafader, Josey E. Topolski, Vicmarie Marerro Colon, Srinivasan Iyengar, and Caroline Chick Jarrold, Journal of Chemical Physics, 146, 194310 1-13 (2017) . https://doi.org/10.1063/1.4983335
76
Elucidating Cerium + H2O Reactivity through Electronic Structure: A Combined PES and DFT Study
“Elucidating Cerium + H2O Reactivity through Electronic Structure: A Combined PES and DFT Study,” Josey E. Topolski, Jared O. Kafader, Manisha Ray, and Caroline Chick Jarrold, Journal of Molecular Spectroscopy, 336, 1-11 (2017).RAO PRIZE ARTICLE https://doi.org/10.1016/j.jms.2017.03.012
75
Explaining the MoVO4- Photoelectron Spectrum: Rationalization of Geometric and Electronic Structure
“Explaining the MoVO4- Photoelectron Spectrum: Rationalization of Geometric and Electronic Structure,” Lee M. Thompson, Caroline Chick Jarrold, and Hrant P. Hratchian, Journal of Chemical Physics, 146, 104301 1-8 (2017). https://doi.org/10.1063/1.4977418
74
Molecular and electronic structures of cerium and cerium suboxide clusters
“Molecular and electronic structures of cerium and cerium suboxide clusters,” Jared O. Kafader, Josey E. Topolski, and Caroline Chick Jarrold, Journal Chemical Physics, 145, 154306 1-17 (2016). https://doi.org/10.1063/1.4964817
73
Photoelectron Imaging Spectra of O2-.VOC and O4-.VOC complexes
“Photoelectron Imaging Spectra of O2-.VOC and O4-.VOC complexes,” Kellyn Patros, Jennifer Mann, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 120, 7828-7838 (2016). https://doi.org/10.1021/acs.jpca.6b07107
72
Mixed cerium-platinum oxides: Electronic structure of [CeO]Ptn (n = 1, 2)and [CeO2]Pt complex anions and neutrals
"Mixed cerium-platinum oxides: Electronic structure of [CeO]Ptn (n = 1, 2)and [CeO2]Pt complex anions and neutrals," Manisha Ray, Jared O. Kafader, Josey E. Topolski, and Caroline Chick Jarrold, Journal of Chemical Physics, 145, 044317 (2016). https://doi.org/10.1063/1.4959279
71
Effect of alkyl group on MxOy- + ROH (M = Mo, W; R = Me, Et) reaction rates
"Effect of alkyl group on MxOy- + ROH (M = Mo, W; R = Me, Et) reaction rates," Manisha Ray, Sarah E. Waller, and Caroline Chick Jarrold, Journal of Physical Chemistry A,120, 1508-1519 (2016). https://doi.org/10.1021/acs.jpca.6b00102
70
Role of weakly-bound complexes in temperature-dependence and relative rates of MxOy- + H2O (M = Mo, W) reactions
"Role of weakly-bound complexes in temperature-dependence and relative rates of MxOy- + H2O (M = Mo, W) reactions," Jared O. Kafader, Manisha Ray, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics, 144, 074307 1-9 (2016). https://doi.org/10.1063/1.4959279
69
Photoelectron Spectrum of PrO-
"Photoelectron Spectrum of PrO-,"Jared O. Kafader, Manisha Ray, and Caroline Chick Jarrold, Journal of Chemical Physics, 143, 064305 1-6 (2015). https://doi.org/10.1063/1.4928371
68
Low-lying electronic structure of EuH, EuOH and EuO neutrals and anions determined by anion photoelectron spectroscopy and DFT calculations
"Low-lying electronic structure of EuH, EuOH and EuO neutrals and anions determined by anion photoelectron spectroscopy and DFT calculations," Jared O. Kafader, Manisha Ray, and Carolind Chick Jarrold, Journal of Chemical Physics, 142, 034305 1-9 (2015). https://doi.org/10.1063/1.4926663
67
Photoelectron imaging and photodissociation of ozonide in O3-.(O2)n (n = 1 - 4) clusters
“Photoelectron imaging and photodissociation of ozonide in O3-.(O2)n (n = 1 - 4) clusters,” Jennifer E. Mann, Mary E. Troyer, and Caroline Chick Jarrold, Journal of Chemical Physics, 142, 124305 1-7 (2015). https://doi.org/10.1063/1.4916048
66
Photoelectron Spectra of CeO- and CeO2H2-
“Photoelectron Spectra of CeO- and CeO2H2-,” Manisha Ray, Jeremy Felton, Jared Kafader, Josey Topolski, and Caroline Chick Jarrold, Journal of Chemical Physics, 142, 064305 1-8 (2015). https://doi.org/10.1063/1.4907714
65
Comparative study of water reactions with Mo2Oy- and W2Oy- clusters: A combined experimental and theoretical investigation
"Comparative study of water reactions with Mo2Oy- and W2Oy- clusters: A combined experimental and theoretical investigation," Manisha Ray, Sarah E. Waller, Arjun Saha, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics,141, 104310 1-9 (2014). https://doi.org/10.1063/1.4894760
64
CexOy- (x = 2 - 3) + D2O reactions: Stoichiometric cluster formation from deuteroxide decay and anti-Arrhenius behavior
"CexOy- (x = 2 - 3) + D2O reactions: Stoichiometric cluster formation from deuteroxide decay and anti-Arrhenius behavior," Jeremy A. Felton, Manisha Ray, Sarah E. Waller, Jared O. Kafader, and Caroline Chick Jarrold, Journal of Physical Chemistry A,118, 9960-9969 (2014). https://doi.org/10.1021/jp507900d
63
RH and H2 production in reactions between ROH and small molybdenum oxide cluster anions
"RH and H2 production in reactions between ROH and small molybdenum oxide cluster anions," Sarah E. Waller and Caroline Chick Jarrold, Journal of Physical Chemistry A, 118, 8493-8504 (2014). DOI 10.1021/jp502021k . A.W. Castleman, Jr Festschrift https://doi.org/10.1021/jp502021k
62
Measurement of the electron affinity of atomic Ce
"Measurement of the electron affinity of atomic Ce," Jeremy A. Felton, Manisha Ray, and Caroline Chick Jarrold, Physical Review A, 89, 033047 (2014). https://doi.org/10.1103/PhysRevA.89.033407
61
A Simple Relationship Between Oxidation State and Electron Affinity in Gas-Phase Metal-oxo Complexes
"A Simple Relationship Between Oxidation State and Electron Affinity in Gas-Phase Metal-oxo Complexes," Sarah E. Waller, Manisha Ray, Bruce L. Yoder, and Caroline Chick Jarrold, Journal of Physical Chemistry A 117, 13919-13925 (2013). Terry Miller Festschrift https://doi.org/10.1021/jp4097666
60
New Insights on Photocatalytic H2 Liberation from Water using Transition Metal Oxides: Lessons from Cluster Models of Molybdenum and Tungsten Oxides
"New Insights on Photocatalytic H2 Liberation from Water using Transition Metal Oxides: Lessons from Cluster Models of Molybdenum and Tungsten Oxides," Raghunath Ramabhadran, Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb, Caroline Chick Jarrold and Krishnan Raghavachari, Journal of the American Chemical Society, 135, 17039-17051 (2013). https://doi.org/10.1021/ja4076309
59
The Shift from Covalent to Ionic Bonding in Al2MoOy (y = 2 − 4) Anion and Neutral Clusters
“The Shift from Covalent to Ionic Bonding in Al2MoOy (y = 2 − 4) Anion and Neutral Clusters,“ Jennifer E. Mann, Sarah E. Waller and Caroline Chick Jarrold, Journal of Physical Chemistry A 117, 12116-12124 (2013). Curt Wittig Festschrift https://doi.org/10.1021/jp4050435
58
Asymmetric partitioning of metals among cluster anions and cations generated via laser ablation of mixed aluminum/group 6 transition metal targets
“Asymmetric partitioning of metals among cluster anions and cations generated via laser ablation of mixed aluminum/group 6 transition metal targets,” Sarah E. Waller, Jennifer E. Mann, and Caroline Chick Jarrold, Journal of Physical Chemistry A, 117, 1765 (2013). https://doi.org/10.1021/jp3119692
57
Study of MoNbOy (y = 2 − 5) Anion and Neutral Clusters Using Photoelectron Spectroscopy and Density Functional Theory Calculations: Impact of Spin Contamination on Single Point Calculations
“Study of MoNbOy (y = 2 − 5) Anion and Neutral Clusters Using Photoelectron Spectroscopy and Density Functional Theory Calculations: Impact of Spin Contamination on Single Point Calculations,” Sarah E. Waller, Jennifer E. Mann, David W. Rothgeb and Caroline Chick Jarrold, Journal of Physical Chemistry A,116, 9639-9652 (2012). https://doi.org/10.1021/jp306790z
56
Electronic structures of WAlOy and WAlOy− (y = 2 − 4) determined by anion photoelectron spectroscopy and density functional theory calculations
"Electronic structures of WAlOy and WAlOy− (y = 2 − 4) determined by anion photoelectron spectroscopy and density functional theory calculations," Jennifer E. Mann, Sarah E. Waller and Caroline Chick Jarrold, Journal of Chemical Physics, 137, Article 044301 (2012). https://doi.org/10.1063/1.4736728
55
Electronic structures of AlMoOy− (y = 1 − 4) determined by photoelectron spectroscopy and DFT calculations
“Electronic structures of AlMoOy− (y = 1 − 4) determined by photoelectron spectroscopy and DFT calculations,” Sarah E. Waller, Jennifer E. Mann, Ekram Hossain, Mary Troyer and Caroline Chick Jarrold, Journal of Chemical Physics, 137, Article 024302 (2012). https://doi.org/10.1063/1.4731345
54
Properties of Metal Oxide Clusters in non-Traditional Oxidation States
"Properties of Metal Oxide Clusters in non-Traditional Oxidation States" Jennifer E. Mann, Nicholas J. Mayhall and Caroline Chick Jarrold, Chemical Physics Letters,525-6, pages: 1-12 (2012). https://doi.org/10.1016/j.cplett.2011.11.063
53
Study of Nb2Oy (y = 2 − 5) anion and neutral clusters using photoelectron spectroscopy and density functional theory calculations
"Study of Nb 2O y ( y = 2 − 5) anion and neutral clusters using photoelectron spectroscopy and density functional theory calculations", Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb and Caroline Chick Jarrold, Journal of Chemical Physics, 135 page 104317 (2011). https://doi.org/10.1063/1.3634011
52
Structures of trimetallic molybdenum and tungsten suboxide cluster anions
"Structures of trimetallic molybdenum and tungsten suboxide cluster anions", David W. Rothgeb, Jennifer E. Mann, Sarah E. Waller and Caroline Chick Jarrold, Journal of Chemical Physics,135, page 104312 (2011). https://doi.org/10.1063/1.3635408
51
Resonant two-photon detachment of WO2−
"Resonant two-photon detachment of WO2−", Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb and Caroline Chick Jarrold, Chemical Physics Letters, 506, pages: 31-36 (2011). https://doi.org/10.1016/j.cplett.2011.02.056
50
Study of MoVOy− (y = 2-5) anion and neutral clusters using anion photoelectron spectroscopy and Density Functional Theory calculations
"Study of MoVOy− (y = 2-5) anion and neutral clusters using anion photoelectron spectroscopy and Density Functional Theory calculations", Jennifer E. Mann, David W. Rothgeb, Sarah E. Waller and Caroline Chick Jarrold, Journal of Physical Chemistry A, 114, page 11312 (2010). https://doi.org/10.1021/jp1044223
49
H2 production from reactions between water and small molybdenum suboxide cluster anions
"H 2 production from reactions between water and small molybdenum suboxide cluster anions" , David W. Rothgeb, Jennifer Mann and Caroline Chick Jarrold, Journal of Chemical Physics, 133, 054305 (2010). https://doi.org/10.1063/1.3463413
48
CO2 reduction by group 6 metal suboxide cluster anions
"CO2 reduction by group 6 metal suboxide cluster anions", Ekram Hossain, David W. Rothgeb, and Caroline Chick Jarrold, Journal of Chemical Physics, 133, Article 024305 (2010). https://doi.org/10.1063/1.3455220
47
Disparate product distributions observed in Mo(3-x)WxOy− (x = 0) reactions with D2O and CO2
"Disparate product distributions observed in Mo(3-x)WxOy− (x = 0) reactions with D2O and CO2", David W. Rothgeb, Ekram Hossain, Jennifer E. Mann, and Caroline C. Jarrold, Journal of Chemical Physics131, Article 064302 (2010). https://doi.org/10.1063/1.3313927
46
Termination of the W2Oy−+H2O/D2O → W2Oy+1−+H2/D2 sequential oxidation reaction: An exploration of kinetic versus thermodynamic effects
"Termination of the W2Oy−+H2O/D2O → W2Oy+1−+H2/D2 sequential oxidation reaction: An exploration of kinetic versus thermodynamic effects",David W. Rothgeb, Ekram Hossain, Nicholas J. Mayhall, Krishnan Raghavachari, and Caroline C. Jarrold, Journal of Chemical Physics, 131, Article 144306 (2009). https://doi.org/10.1063/1.3246833
45
Water reactivity with tungsten oxides: H2 production and kinetic traps
"Water reactivity with tungsten oxides: H2 production and kinetic traps", Nicholas J. Mayhall, David W. Rothgeb, Ekram Hossain, Caroline C. Jarrold and Krishnan Raghavachari, Journal of Chemical Physics, 131, Article 144302 (2009). https://doi.org/10.1063/1.3242294
44
Structures of MoxW(3−x)O6 (x=0–3) anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations
"Structures of MoxW(3−x)O6 (x=0–3) anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations", David W. Rothgeb, Ekram Hossain, Angela T. Kuo, Jennifer L. Troyer and Caroline C. Jarrold, Journal of Chemical Physics, 131, Article 044310 (2009). https://doi.org/10.1063/1.3180825
43
Unusual Products observed in gas phase WxOy− + H2O and D2O reactions
"Unusual Products observed in gas phase WxOy− + H2O and D2O reactions"David W. Rothgeb, Ekram Hossain, Angela T. Kuo, Jennifer L. Troyer, Caroline C. Jarrold, Nicholas J. Mayhall and Krishnan Raghavachari, Journal of Chemical Physics, 130, Article 124314 (2009). https://doi.org/10.1063/1.3096414
42
Electronic structures of MoWOy− and MoWOy determined by anion photoelectron spectroscopy and DFT calculations
"Electronic structures of MoWOy− and MoWOy determined by anion photoelectron spectroscopy and DFT calculations",Nicholas J. Mayhall, David W. Rothgeb, Ekram Hossain, Krishnan Raghavachari, and Caroline C. Jarrold, Journal of Chemical Physics, 130, Article 124313 (2009). https://doi.org/10.1063/1.3100782
41
Electronic structure of coordinatively unsaturated molybdenum and molybdenum oxide carbonyls
"Electronic structure of coordinatively unsaturated molybdenum and molybdenum oxide carbonyls", Ekram Hossain and Caroline C. Jarrold, Journal of Chemical Physics, 130, Article 064301 (2009). https://doi.org/10.1063/1.3073855
40
Tungsten carbide revisited: New anion PE spectrum and DFT calculations
"Tungsten carbide revisited: New anion PE spectrum and DFT calculations", David W. Rothgeb, Ekram Hossain, and Caroline C. Jarrold, Journal of Chemical Physics, 129, Article 114304 (2008). https://doi.org/10.1063/1.2976342
39
Solvation of O2− and O4− by p-difluorobenzene and p-xylene studied by photoelectron spectroscopy
"Solvation of O2− and O4− by p-difluorobenzene and p-xylene studied by photoelectron spectroscopy", Cheolhwa Kang, Jennifer L. Troyer, Erica M. Robertson, David W. Rothgeb, Ekram Hossain, Richard B. Wyrwas, Charles S. Parmenter, and Caroline C. Jarrold, Journal of Chemical Physics, 128, Article 104309 (2008). https://doi.org/10.1063/1.2838849
38
Reactions between CO and small molybdenum suboxide cluster anions
"Reactions between CO and small molybdenum suboxide cluster anions", Richard B. Wyrwas, Erica M. Robertson, and Caroline C. Jarrold,Journal of Chemical Physics, 126, Article 214309 (2007). https://doi.org/10.1063/1.2737447
37
Production of C6O6 from oligomerization of CO on molybdenum anions
"Production of C6O6 from oligomerization of CO on molybdenum anions", Richard B. Wyrwas and Caroline C. Jarrold, Journal of the American Chemical Society, 128, 13689 (2006). https://doi.org/10.1021/ja0643927
36
Addition of NH3 to Al3O3
"Addition of NH3 to Al3O3",Richard B. Wyrwas, Caroline Chick Jarrold, Ujjal Das and Krishnan Raghavachari, Journal of Chemical Physics124, Art. No. 201101 (2006). https://doi.org/10.1063/1.2206583
35
Reactivity of small MoxOy clusters toward methane and ethane
"Reactivity of small MoxOy clusters toward methane and ethane", Richard B. Wyrwas, Bruce L. Yoder, Joshua T. Maze, and Caroline Chick Jarrold,Journal of Physical Chemistry A110, 2157-2164 (2006). https://doi.org/10.1021/jp057195n
34
Comparison of nickel-group metal cyanides and acetylides and their anions using anion photoelectron spectroscopy and density functional theory calculations
"Comparison of nickel-group metal cyanides and acetylides and their anions using anion photoelectron spectroscopy and density functional theory calculations", Bappaditya Chatterjee, F. Ahu Akin, Caroline Chick Jarrold and Krishnan Raghavachari, Journal of Physical Chemistry A, 109 6880-6886 (2005). https://doi.org/10.1021/jp0520704
33
Structures of Mo2Oy− and Mo2Oy (y = 2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations
"Structures of Mo2Oy− and Mo2Oy (y = 2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations", Bruce L. Yoder, Joshua T. Maze, Krishnan Raghavachari, and Caroline Chick Jarrold, Journal of Chemical Physics122 Art. No. 094313 (2005). https://doi.org/10.1063/1.1853379
32
Addition of water to Al5O4 determined by anion photoelectron spectroscopy and quantum chemical calculations
"Addition of water to Al5O4 determined by anion photoelectron spectroscopy and quantum chemical calculations", Ujjal Das, Krishnan Raghavachari and Caroline Chick Jarrold, Journal of Chemical Physics122, Art. No. 014313 (2005). https://doi.org/10.1063/1.1828043
31
Reactivity of Al3O3 toward H2O studied by density functional theory
"Reactivity of Al3O3 toward H2O studied by density functional theory", F. Ahu Akin and Caroline C. Jarrold, Journal of Chemical Physics120, 8698-8706 (2004). https://doi.org/10.1063/1.1687322
30
A comparison of stable carbonyls formed in the gas phase reaction between group 10 atomic anions and methanol or methoxy radicals: Anion photoelectron spectroscopy and density functional theory calculations on HNiCO PdCO and PtCO
"A comparison of stable carbonyls formed in the gas phase reaction between group 10 atomic anions and methanol or methoxy radicals: Anion photoelectron spectroscopy and density functional theory calculations on HNiCO PdCO and PtCO", Bappaditya Chatterjee, F. Ahu Akin, Caroline Chick Jarrold and Krishnan Raghavachari, Journal of Chemical Physics, 119,10591-10599 (2003). https://doi.org/10.1063/1.1619131
29
Addition of water and methanol to Al3O3− studied by mass spectrometry and anion photoelectron spectroscopy
"Addition of water and methanol to Al3O3− studied by mass spectrometry and anion photoelectron spectroscopy", F. Ahu Akin and Caroline Chick Jarrold, Journal of Chemical Physics118, 5841-5851 (2003). https://doi.org/10.1063/1.1553466
28
Separating contributions from multiple structural isomers in anion photoelectron spectra: Al3O3− beam hole burning
"Separating contributions from multiple structural isomers in anion photoelectron spectra: Al3O3− beam hole burning", F. Ahu Akin and Caroline Chick Jarrold, Journal of Chemical Physics, 118 1773-1778 (2003). https://doi.org/10.1063/1.1529176
27
Comparison of CaF, ZnF, CaO, and ZnO: Their anions and cations in their ground and low-lying excited states
"Comparison of CaF, ZnF, CaO, and ZnO: Their anions and cations in their ground and low-lying excited states", James F. Harrison, Robert W. Field and Caroline Chick Jarrold, ACS Symposium Series,828, 238 (2002). DOI: 10.1021/bk-2002-0828.ch011
26
The electronic structure of ZnO and ZnF determined by anion photoelectron spectroscopy
"The electronic structure of ZnO and ZnF determined by anion photoelectron spectroscopy", Vicki D. Moravec, Stephan A. Klopcic, Bappaditya Chatterjee, and Caroline Chick Jarrold,Chemical Physics Letters, 341, 313 (2001). https://doi.org/10.1063/1.481883
25
Study of tin- and tin cluster-cyano complexes using anion photoelectron spectroscopy and density functional calculations
"Study of tin- and tin cluster-cyano complexes using anion photoelectron spectroscopy and density functional calculations", Vicki D. Moravec and Caroline Chick Jarrold, Journal of Chemical Physics, 113, 1035 (2000). https://doi.org/10.1063/1.481883
24
The electronic structure of PdC2H and PdC2HN determined by anion photoelectron spectroscopy
"The electronic structure of PdC2H and PdC2HN determined by anion photoelectron spectroscopy", Vicki D. Moravec and Caroline Chick Jarrold, Journal of Chemical Physics, 112, 792 (2000). https://doi.org/10.1063/1.480608
23
Photoelectron spectrum of PdO−
"Photoelectron spectrum of PdO−", Stephan A. Klopcic, Vicki D. Moravec, and Caroline Chick Jarrold, Journal of Chemical Physics, 110, 10216 (1999). https://doi.org/10.1063/1.478894
22
Anion photoelectron spectroscopy of PdCO− and PdCN−: Reactivity of Pd−
"Anion photoelectron spectroscopy of PdCO− and PdCN−: Reactivity of Pd−", Stephan A. Klopcic, Vicki D. Moravec, and Caroline Chick Jarrold, Journal of Chemical Physics, 110, 8986 (1999). https://doi.org/10.1063/1.478817
21
Anion photoelectron spectroscopy of small tin clusters
"Anion photoelectron spectroscopy of small tin clusters", Vicki D. Moravec, Stephan A. Klopcic, and Caroline Chick Jarrold, Journal of Chemical Physics, 110, 5079 (1999). https://doi.org/10.1063/1.478405
20
Study of NiO- and NiO using negative ion photoelectron spectroscopy
"Study of NiO- and NiO using negative ion photoelectron spectroscopy", Vicki D. Moravec and Caroline Chick Jarrold, Journal of Chemical Physics, 108, 1804 (1998). https://doi.org/10.1063/1.475557
19
Synthesis of Size-Selected, Surface Passivated InP Nanocrystals
"Synthesis of Size-Selected, Surface Passivated InP Nanocrystals", A. A. Guzelian, J. E. B. Katari, A. V. Kadavanich U. Banin, K. Hamad, E. Juban, A. P. Alivisatos, and R. H. Wolters, C. C. Arnold, and J. R. Heath, Journal of Physical Chemistry, 100, 7212 (1996). https://doi.org/10.1021/jp953719f
18
Photoelectron Spectroscopy and Zero Electron Kinetic Energy Spectroscopy of Germanium Cluster Anions
"Photoelectron Spectroscopy and Zero Electron Kinetic Energy Spectroscopy of Germanium Cluster Anions", Gordon R. Burton, Cangshan Xu, Caroline C. Arnold, and Daniel M. Neumark, Journal of Chemical Physics, 104, 2757 (1996). https://doi.org/10.1063/1.471098
17
The Physical Chemistry of Size and Shape: Beyond the fullerenes
"The Physical Chemistry of Size and Shape: Beyond the fullerenes", Joseph S. Shiang, Caroline C. Arnold, Daniel V. Leff, Rolf H. Wolters, Pamela Ohara, and James R. Heath, NATO ASI Series E, Vol 316, The Chemical Physics of Fullerenes 10 (and 5) Years Later, ed. by W. Andreoni p. 461 (1996).
16
Study of the Low-lying States of Ge2− and Ge2 using Negative Ion Zero Electron Kinetic Energy Spectroscopy
"Study of the Low-lying States of Ge2− and Ge2 using Negative Ion Zero Electron Kinetic Energy Spectroscopy", Caroline C. Arnold, Cangshan Xu, Gordon R. Burton, and Daniel M. Neumark, Journal of Chemical Physics, 102, 6982 (1995). https://doi.org/10.1063/1.469091
15
Negative Ion Threshold Photodetachment Spectroscopy of the I-CH3 I N2 Reaction Intermediate
"Negative Ion Threshold Photodetachment Spectroscopy of the I-CH3 I N2 Reaction Intermediate", Caroline C. Arnold, Daniel M. Neumark, Donna M. Cyr, and Mark A. Johnson, Journal of Physical Chemistry, 99, 1633 (1995). https://doi.org/10.1021/j100006a002
14
Study of InP/In2P− and InP2/InP2− using negative ion threshold photodetachment spectroscopy
"Study of InP/In2P− and InP2/InP2− using negative ion threshold photodetachment spectroscopy", Caroline C. Arnold and Daniel M. Neumark, Canadian Journal of Physics, 72, 1322 (1994). https://doi.org/10.1139/p94-168
13
Study of the ArBr−, ArI−, and KrI− Anions and their Corresponding Neutral van der Waals Complexes by Anion Zero Electron Kinetic Energy Spectroscopy
"Study of the ArBr−, ArI−, and KrI− Anions and their Corresponding Neutral van der Waals Complexes by Anion Zero Electron Kinetic Energy Spectroscopy", Yuexing Zhao, Ivan Yourshaw, Georg Reiser, Caroline C. Arnold, and Daniel M. Neumark, Journal of Chemical Physics, 101, 6538 (1994). https://doi.org/10.1063/1.468500
12
Anion Photoelectron Spectroscopy of Small Indium Phosphide Clusters
"Anion Photoelectron Spectroscopy of Small Indium Phosphide Clusters", (InxPy−; x, y = 1 - 4),Cangshan Xu, Esther de Beer, Don W. Arnold, Caroline C. Arnold, and Daniel M. Neumark, Journal of Chemical Physics, 101, 5604 (1994). https://doi.org/10.1063/1.467393
11
The Study of Small Carbon and Silicon Clusters using Negative Ion Photodetachment Techniques
"The Study of Small Carbon and Silicon Clusters using Negative Ion Photodetachment Techniques", Caroline C. Arnold and Daniel M. Neumark, Advances in Metal and Semiconductor Clusters, Vol. III, Edited by M. Duncan, JAI Press, Greenwich (1994).
10
Threshold Photodetachment (ZEKE) Spectroscopy of Si3−
"Threshold Photodetachment (ZEKE) Spectroscopy of Si3−", Caroline C. Arnold and Daniel M. Neumark, Journal of Chemical Physics100, 1797 (1994). https://doi.org/10.1063/1.466532
9
Study of Si4 and Si4− using Threshold Photodetachment (ZEKE) Spectroscopy
"Study of Si4 and Si4− using Threshold Photodetachment (ZEKE) Spectroscopy", Caroline C. Arnold and Daniel M. Neumark, Journal of Chemical Physics99, 3353 (1993). https://doi.org/10.1063/1.465145
8
Study of C6− and C6 with Threshold Photodetachment Spectroscopy and Autodetachment Spectroscopy- Reply
"Study of C6− and C6 with Threshold Photodetachment Spectroscopy and Autodetachment Spectroscopy- Reply", Caroline C. Arnold and Daniel M. Neumark, Journal of Chemical Physics99, 1442 (1993). https://doi.org/10.1063/1.465340
7
Reassignment of the Si2− Photodetachment Spectra
"Reassignment of the Si2− Photodetachment Spectra", Caroline C. Arnold, Theofanis N. Kitsopoulos and Daniel M. Neumark, Journal of Chemical Physics,99, 766 (1993). https://doi.org/10.1063/1.465757
6
Study of the ICO2 van der Waals Complex by Threshold Photodetachment Spectroscopy of ICO
"Study of the ICO2 van der Waals Complex by Threshold Photodetachment Spectroscopy of ICO", Yuexing X. Zhao, Caroline C. Arnold and Daniel M. Neumark, Journal of the Chemical Society - Faraday Transactions,89, 1449 (1993). DOI:10.1039/FT9938901449
5
Study of C6− and C6 with Threshold Photodetachment Spectroscopy and Autodetachment Spectroscopy
"Study of C6− and C6 with Threshold Photodetachment Spectroscopy and Autodetachment Spectroscopy", Caroline C. Arnold, Yuexing X. Zhao, Theofanis N. Kitsopoulos and Daniel M. Neumark, Journal of Chemical Physics,97, 6121 (1992). https://doi.org/10.1063/1.463722
4
Dielectric Relaxation of Intercalated Cd2P2S6
"Dielectric Relaxation of Intercalated Cd2P2S6", Jeff A. Read, Caroline Chick and Anthony H. Francis, Journal of Physical Chemistry,96, 2010 (1992). https://doi.org/10.1021/j100183a087
3
Threshold Photodetachment Spectroscopy of C5
"Threshold Photodetachment Spectroscopy of C5", Theofanis N. Kitsopoulos, Caroline J. Chick, Yuexing Zhao and Daniel M. Neumark, Journal of Chemical Physics,95 5479 (1991). https://doi.org/10.1063/1.461664
2
Study of the Low-lying Electronic States of Si2 and Si2 Using Negative Ion Photodetachment Techniques
"Study of the Low-lying Electronic States of Si2 and Si2 Using Negative Ion Photodetachment Techniques", Theofanis N. Kitsopoulos, Caroline J. Chick, Yuexing Zhao and Daniel M. Neumark, Journal of Chemical Physics,95, 1441 (1991). https://doi.org/10.1063/1.461057
2
Study of the Low-lying Electronic States of Si2 and Si2 Using Negative Ion Photodetachment Techniques
"Study of the Low-lying Electronic States of Si2 and Si2 Using Negative Ion Photodetachment Techniques", Theofanis N. Kitsopoulos, Caroline J. Chick, Yuexing Zhao and Daniel M. Neumark, Journal of Chemical Physics,95, 1441 (1991). https://doi.org/10.1063/1.461057
1
Vibrationally Resolved Photoelectron Spectra of Si3− and Si4−
"Vibrationally Resolved Photoelectron Spectra of Si3− and Si4−", Theofanis N. Kitsopoulos, Caroline J. Chick, Alexandra Weaver and Daniel M. Neumark, Journal of Chemical Physics,93, 6108 (1990). https://doi.org/10.1063/1.459004