Electronic structure of dimethyl sulfoxide homologues

Electronic structure of dimethyl sulfoxide homologues

The electron density distribution of the first eight homologues of dimethyl sulfoxide was calculated. The group charges, energies, and volumes were obtained using the quantum theory “”Atoms in Molecules”. The inductive effect of the sulfinyl group on the hydrocarbon chain is considered.

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Bibliographische Detailangaben
Veröffentlicht in:Russian chemical bulletin 2023-07, Vol.72 (7), p.1499-1504
Hauptverfasser: Rusakova, N. P., Turovtsev, V. V., Orlov, Yu. D., Feofanova, M. A.
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Density distribution
Dimethyl sulfoxide
Electron density
Electronic structure
Full Articles
Homology
Inorganic Chemistry
Molecular chains
Organic Chemistry
Quantum theory
Sulfoxides
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Beschreibung
Zusammenfassung:The electron density distribution of the first eight homologues of dimethyl sulfoxide was calculated. The group charges, energies, and volumes were obtained using the quantum theory “”Atoms in Molecules”. The inductive effect of the sulfinyl group on the hydrocarbon chain is considered.
ISSN:1066-5285
1573-9171
DOI:10.1007/s11172-023-3927-6