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/20.500.14594/76527
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Steric effectsvs.electron delocalization: a new look into the stability of diastereomers, conformers and constitutional isomers
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.
