The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes

Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/352692

Type:	Artigo
Title:	The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes
Author:	Viesser, Renan V. Ducati, Lucas C. Tormena, Cláudio F. Autschbach, Jochen
Abstract:	Effects of electron-donating (R = NH2) and electron-withdrawing (R = NO2) groups on13C NMR chemical shifts in R-substituted benzene are investigated by molecular orbital analyses. The13C shift substituent effect inortho,meta, andparaposition is determined
Subject:	Deslocamento químico Ressonância magnética nuclear Benzeno Densidade Chemical shift Nuclear magnetic resonance Benzene Density
Country:	Estados Unidos
Editor:	Royal Society of Chemistry
Rights:	Fechado
Identifier DOI:	10.1039/C7SC02163A
Address:	https://pubs.rsc.org/en/content/articlelanding/2017/sc/c7sc02163a
Date Issue:	2017
Appears in Collections:	IQ - Artigos e Outros Documentos

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