Publication:
Steric effectsvs.electron delocalization: a new look into the stability of diastereomers, conformers and constitutional isomers

1

Issued Date

2021-05-24

Resource Type

Article

ISSN

20462069

DOI

10.1039/d1ra02877d

Other identifier(s)

2-s2.0-85108696775

Rights

Mahidol University

Rights Holder(s)

SCOPUS

Bibliographic Citation

RSC Advances. Vol.11, No.34 (2021), 20691-20700

Suggested Citation

Sopanant Datta, Taweetham Limpanuparb Steric effectsvs.electron delocalization: a new look into the stability of diastereomers, conformers and constitutional isomers. RSC Advances. Vol.11, No.34 (2021), 20691-20700. doi:10.1039/d1ra02877d Retrieved from: https://repository.li.mahidol.ac.th/handle/123456789/76527

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Title

Steric effectsvs.electron delocalization: a new look into the stability of diastereomers, conformers and constitutional isomers

Author(s)

Sopanant Datta
 Taweetham Limpanuparb

Other Contributor(s)

Mahidol University

Abstract

A quantum chemical investigation of the stability of compounds with identical formulas was carried out on 23 classes of compounds made of C, N, P, O and S atoms as core structures and halogens H, F, Cl, Br and I as substituents. All possible structures were generated and investigated by quantum mechanical methods. The prevalence of a formula in which itsZconfiguration,gaucheconformation ormetaisomer is the most stable form is calculated and discussed. Quantitative and qualitative models to explain the stability of the 23 classes of halogenated compounds were also proposed.

Keyword(s)

Chemical Engineering
 Chemistry

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https://repository.li.mahidol.ac.th/handle/123456789/76527

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Scopus 2021