Theoretical prediction of proton and electron affinities, gas phase basicities, and ionization energies of sulfinamides

Masoumeh Ghahremani; Hamed Bahrami; Hamed Douroudgari; Morteza Vahedpour

doi:10.1007/s11224-019-01401-1

Theoretical prediction of proton and electron affinities, gas phase basicities, and ionization energies of sulfinamides

Structural Chemistry ◽

10.1007/s11224-019-01401-1 ◽

2019 ◽

Vol 31 (1) ◽

pp. 411-421

Author(s):

Masoumeh Ghahremani ◽

Hamed Bahrami ◽

Hamed Douroudgari ◽

Morteza Vahedpour

Keyword(s):

Theoretical Prediction ◽

Gas Phase ◽

Electron Affinities ◽

Ionization Energies ◽

Gas Phase Basicities

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DFT, CBS-Q, W1BD and G4MP2 calculation of the proton and electron affinities, gas phase basicities and ionization energies of saturated and unsaturated carboxylic acids (C1 -C4 )

International Journal of Quantum Chemistry ◽

10.1002/qua.24391 ◽

2013 ◽

Vol 113 (12) ◽

pp. 1717-1721 ◽

Cited By ~ 27

Author(s):

Younes Valadbeigi ◽

Hossein Farrokhpour

Keyword(s):

Gas Phase ◽

Carboxylic Acids ◽

Electron Affinities ◽

Ionization Energies ◽

Unsaturated Carboxylic Acids ◽

Gas Phase Basicities

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G4MP2, DFT and CBS-Q calculation of proton and electron affinities, gas phase basicities and ionization energies of hydroxylamines and alkanolamines

Journal of Chemical Sciences ◽

10.1007/s12039-014-0668-y ◽

2014 ◽

Vol 126 (4) ◽

pp. 1209-1215 ◽

Cited By ~ 12

Author(s):

YOUNES VALADBEIGI ◽

HOSSEIN FARROKHPOUR ◽

MAHMOUD TABRIZCHI

Keyword(s):

Gas Phase ◽

Electron Affinities ◽

Ionization Energies ◽

Gas Phase Basicities

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Determination of the absolute energy levels of organic molecules in the gas phase and in condensed media. I. Solution and gas phase ionization energies and electron affinities of substituted pyridine‐N‐oxides

The Journal of Chemical Physics ◽

10.1063/1.433840 ◽

1977 ◽

Vol 66 (11) ◽

pp. 4781-4787 ◽

Cited By ~ 14

Author(s):

Rafik O. Loutfy

Keyword(s):

Gas Phase ◽

Organic Molecules ◽

Energy Levels ◽

Electron Affinities ◽

Condensed Media ◽

Ionization Energies ◽

Absolute Energy ◽

The Absolute

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Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory

Electrochimica Acta ◽

10.1016/j.electacta.2010.01.091 ◽

2010 ◽

Vol 55 (11) ◽

pp. 3804-3811 ◽

Cited By ~ 41

Author(s):

Shyue Ping Ong ◽

Gerbrand Ceder

Keyword(s):

Density Functional Theory ◽

Ionic Liquids ◽

Gas Phase ◽

Density Functional ◽

Room Temperature ◽

Functional Group ◽

Room Temperature Ionic Liquids ◽

Electron Affinities ◽

Functional Theory ◽

Ionization Energies

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Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions Using Density Functional Theory

ECS Meeting Abstracts ◽

10.1149/ma2010-01/4/305 ◽

2010 ◽

Keyword(s):

Density Functional Theory ◽

Ionic Liquids ◽

Gas Phase ◽

Density Functional ◽

Room Temperature ◽

Functional Group ◽

Room Temperature Ionic Liquids ◽

Electron Affinities ◽

Functional Theory ◽

Ionization Energies

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Gas Phase Basicities of Styrenes toward Trimethylsilyl Cation. Structure and Stability of Me3Si-Styrene+Complexes

Chemistry Letters ◽

10.1246/cl.1992.2439 ◽

1992 ◽

Vol 21 (12) ◽

pp. 2439-2442 ◽

Cited By ~ 5

Author(s):

Masaaki Mishima ◽

Chul Hyun Kang ◽

Mizue Fujio ◽

Yuho Tsuno

Keyword(s):

Gas Phase ◽

Structure And Stability ◽

Trimethylsilyl Cation ◽

Gas Phase Basicities

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Reply to the “Comment on “A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity” by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42–46]”

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.02.007 ◽

2016 ◽

Vol 1083 ◽

pp. 75-76

Author(s):

Savaş Kaya ◽

Cemal Kaya ◽

Nazmul Islam

Keyword(s):

Electron Affinities ◽

Ionization Energies ◽

Group Electronegativity ◽

New Equation

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Proton Affinities and Gas-Phase Basicities: Theoretical Methods and Structural Effects

ChemInform ◽

10.1002/chin.200347278 ◽

2003 ◽

Vol 34 (47) ◽

Author(s):

Carol A. Deakyne

Keyword(s):

Gas Phase ◽

Structural Effects ◽

Proton Affinities ◽

Theoretical Methods ◽

Gas Phase Basicities

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Ionization Energies, Electron Affinities, and Reduction Potentials

Handbook of Photochemistry, Third Edition ◽

10.1201/9781420015195.ch7 ◽

2006 ◽

pp. 493-527 ◽

Cited By ~ 1

Keyword(s):

Electron Affinities ◽

Ionization Energies ◽

Reduction Potentials

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Ionization Energies, Electron Affinities, and Reduction Potentials

Handbook of Photochemistry ◽

10.1201/9781420015195-10 ◽

2006 ◽

pp. 503-538

Keyword(s):

Electron Affinities ◽

Ionization Energies ◽

Reduction Potentials

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