Study of Charge Transfer in Radical Reactions of Hydrogen Atom Detachment Involving Triplet Nitro Compounds

The hypothesis of the formation of a radical anion during the dark stage of the reaction of hydrogen atom transfer from the hydrogen sulfide molecule to a triplet molecule of a nitro compound has been verified by quantum chemistry methods. Analysis of changes in spin density during the reaction, as...

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Veröffentlicht in:	High energy chemistry 2020-07, Vol.54 (4), p.254-258
Hauptverfasser:	Fomichev, D. A., Ovsyannikov, D. V., Zelentsov, S. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Charge transfer Chemistry Chemistry and Materials Science Density functional theory Dielectric strength Electron density Hydrogen sulfide Hypotheses Nitro compounds Photochemistry Physical Chemistry Quantum chemistry Time dependence
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