Electronic Structure of Homological Series of Primary Amines and Aminyl Radicals

The electronic structure of the molecules of monoalkylamines R–NH2 and the corresponding radicals R–N●H has been studied in the framework of the quantum theory of atoms in molecules. The values of charges and volumes of atomic groups are presented. The effect of functional groups containing O-, N-, S-atoms on the hydrocarbon chain is compared.

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Publication Details

Journal
Reviews and Advances in Chemistry
Published
2024-12-01
DOI
https://doi.org/10.1134/s2634827624600415
Primary Topic
Chemical Thermodynamics and Molecular Structure
Type
article
Field-Weighted Citation Impact
0.00
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article

Electronic Structure of Homological Series of Primary Amines and Aminyl Radicals

Е. М. Чернова, Yu. D. Orlov, Maxim Yu. Orlov, Наталья Петровна Русакова
Reviews and Advances in Chemistry
Chemical Thermodynamics and Molecular Structure
article

Electronic Structure of Homological Series of Primary Amines and Aminyl Radicals

Е. М. Чернова, Yu. D. Orlov, Maxim Yu. Orlov, Наталья Петровна Русакова
article en

Abstract

The electronic structure of the molecules of monoalkylamines R–NH2 and the corresponding radicals R–N●H has been studied in the framework of the quantum theory of atoms in molecules. The values of charges and volumes of atomic groups are presented. The effect of functional groups containing O-, N-, S-atoms on the hydrocarbon chain is compared.

Reviews and Advances in ChemistryVol. 14(4)
Tver State University (RU)
Openalex Percentile: Top 82%
Chemical Thermodynamics and Molecular Structure
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