Issue 47, 2016

Substituent effect in theoretical ROA spectra

Abstract

The substituent effect in ROA spectra is reported for the first time. The ROA spectra of substituted indenes and isoindolinones reveal significant correlations with σp and pEDA(I) substituent effect descriptors. The correlations are found only when αG′ and β(G′)2 ROA invariants are mutually proportional.

Graphical abstract: Substituent effect in theoretical ROA spectra

Supplementary files

Article information

Article type
Communication
Submitted
16 Jan 2016
Accepted
15 Apr 2016
First published
18 Apr 2016

RSC Adv., 2016,6, 40760-40764

Substituent effect in theoretical ROA spectra

P. F. J. Lipiński and J. Cz. Dobrowolski, RSC Adv., 2016, 6, 40760 DOI: 10.1039/C6RA01396A

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