Properties of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions through photoelectron spectroscopy and density functional theory calculations

Shi Yin; Elliot R. Bernstein

doi:10.1063/1.4964651

Properties of iron sulfide, hydrosulfide, and mixed sulfide/hydrosulfide cluster anions through photoelectron spectroscopy and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.4964651 ◽

2016 ◽

Vol 145 (15) ◽

pp. 154302 ◽

Cited By ~ 13

Author(s):

Shi Yin ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Iron Sulfide ◽

Density Functional Theory Calculations ◽

Cluster Anions ◽

Functional Theory ◽

Mixed Sulfide

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Comparison of Nickel-Group Metal Cyanides and Acetylides and Their Anions Using Anion Photoelectron Spectroscopy and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0520704 ◽

2005 ◽

Vol 109 (31) ◽

pp. 6880-6886 ◽

Cited By ~ 8

Author(s):

Bappaditya Chatterjee ◽

F. Ahu Akin ◽

Caroline Chick Jarrold ◽

Krishnan Raghavachari

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Group Metal ◽

Metal Cyanides ◽

Anion Photoelectron Spectroscopy

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Structures of Mo2Oy− and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.1853379 ◽

2005 ◽

Vol 122 (9) ◽

pp. 094313 ◽

Cited By ~ 54

Author(s):

Bruce L. Yoder ◽

Joshua T. Maze ◽

Krishnan Raghavachari ◽

Caroline Chick Jarrold

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Anion Photoelectron Spectroscopy

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On the dissolution of lithium sulfate in water: anion photoelectron spectroscopy and density functional theory calculations

Physical Chemistry Chemical Physics ◽

10.1039/c4cp05698a ◽

2015 ◽

Vol 17 (8) ◽

pp. 5624-5631 ◽

Cited By ~ 9

Author(s):

Gang Feng ◽

Gao-Lei Hou ◽

Hong-Guang Xu ◽

Zhen Zeng ◽

Wei-Jun Zheng

Keyword(s):

Density Functional Theory ◽

Dft Calculations ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Lithium Sulfate ◽

Functional Theory ◽

Anion Photoelectron Spectroscopy ◽

Insight Into

Microscopic insight into the dissolution of Li2SO4in water was gained using photoelectron spectroscopy combined with DFT calculations.

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Metallization of the C60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.3432778 ◽

2010 ◽

Vol 132 (23) ◽

pp. 234710 ◽

Cited By ~ 3

Author(s):

Abdou-Ciss Wade ◽

Silvano Lizzit ◽

Luca Petaccia ◽

Andrea Goldoni ◽

Djibril Diop ◽

...

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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Nb2BN2− cluster anions reduce four carbon dioxide molecules: reactivity enhancement by ligands

Dalton Transactions ◽

10.1039/d0dt02680h ◽

2020 ◽

Vol 49 (40) ◽

pp. 14081-14087 ◽

Cited By ~ 1

Author(s):

Hai-Yan Zhou ◽

Ming Wang ◽

Yong-Qi Ding ◽

Jia-Bi Ma

Keyword(s):

Mass Spectrometry ◽

Carbon Dioxide ◽

Density Functional Theory ◽

Gas Phase ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Cluster Anions ◽

Gas Phase Reactions ◽

Functional Theory ◽

Flight Mass Spectrometry

The thermal gas-phase reactions of Nb2BN2− cluster anions with carbon dioxide have been explored by using the art of time-of-flight mass spectrometry and density functional theory calculations.

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Photoelectron Spectroscopy and Density Functional Theory Studies of Iron Sulfur (FeS)m–(m= 2–8) Cluster Anions: Coexisting Multiple Spin States

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b07676 ◽

2017 ◽

Vol 121 (39) ◽

pp. 7362-7373 ◽

Cited By ~ 6

Author(s):

Shi Yin ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spin States ◽

Cluster Anions ◽

Functional Theory ◽

Iron Sulfur

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Dimer-T3reconstruction of the Sm/Si(100)(2×3) surface studied by high-resolution photoelectron spectroscopy and density functional theory calculations

Physical Review B ◽

10.1103/physrevb.84.245322 ◽

2011 ◽

Vol 84 (24) ◽

Cited By ~ 5

Author(s):

M. Kuzmin ◽

M. J. P. Punkkinen ◽

P. Laukkanen ◽

J. J. K. Lång ◽

J. Dahl ◽

...

Keyword(s):

Density Functional Theory ◽

High Resolution ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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The length, strength and polarity of metal–carbon bonds: dialkylzinc compounds studied by density functional theory calculations, gas electron diffraction and photoelectron spectroscopy

Dalton Transactions ◽

10.1039/b306840b ◽

2003 ◽

pp. 4356-4366 ◽

Cited By ~ 42

Author(s):

Arne Haaland ◽

Jennifer C. Green ◽

G. Sean McGrady ◽

Anthony J. Downs ◽

Emanuel Gullo ◽

...

Keyword(s):

Density Functional Theory ◽

Electron Diffraction ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Gas Electron Diffraction ◽

Functional Theory ◽

Carbon Bonds

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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

The Journal of Physical Chemistry A ◽

10.1021/jp306790z ◽

2012 ◽

Vol 116 (39) ◽

pp. 9639-9652 ◽

Cited By ~ 19

Author(s):

Sarah E. Waller ◽

Jennifer E. Mann ◽

David W. Rothgeb ◽

Caroline C. Jarrold

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Single Point ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Spin Contamination

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Photoelectron spectroscopy and density functional theory studies of (fructose + (H2O)n)− (n = 1–5) anionic clusters

Physical Chemistry Chemical Physics ◽

10.1039/c7cp06625b ◽

2017 ◽

Vol 19 (46) ◽

pp. 31121-31137

Author(s):

Zhen Zeng ◽

Elliot R. Bernstein

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Cluster Anions ◽

Open Chain ◽

Functional Theory ◽

Anionic Clusters

(Fructose + (H2O)n)− (n = 1–5) cluster anions mainly exist as open chain structures. Some cyclic structures of (fructose + (H2O)n)− (n = 3, 4) are present too.

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