Issue 47, 2016
From the journal:

RSC Advances

Substituent effect in theoretical ROA spectra†

Piotr F. J. Lipiński*a  and  Jan Cz. Dobrowolskibc  

* Corresponding authors

a Department of Neuropeptides, Mossakowski Medical Research Centre Polish Academy of Sciences, 02-106 Warszawa, Poland
E-mail: plipin@icm.edu.pl

b National Medicines Institute, 00-725 Warszawa, Poland

c Institute of Nuclear Chemistry and Technology, 03-195 Warszawa, Poland

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

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Article information

DOI
https://doi.org/10.1039/C6RA01396A
Article type
Communication
Submitted
16 Jan 2016
Accepted
15 Apr 2016
First published
18 Apr 2016

RSC Adv., 2016,6, 40760-40764

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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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