Charge Distributions and Chemical Effects. IX. On the Charge Dependence of C-13 Chemical Shifts in Alkylcyclohexanes and Cyclopropane-Reference-Cited by-同舟云学术

Charge Distributions and Chemical Effects. IX. On the Charge Dependence of C-13 Chemical Shifts in Alkylcyclohexanes and Cyclopropane

Published:1975-08-15 Issue:16 Volume:53 Page:2400-2405
ISSN:0008-4042
Container-title:Canadian Journal of Chemistry
language:en
Short-container-title:Can. J. Chem.

Author:

Roberge Réal,Fliszár Sándor

Abstract

The analysis of ab initio charge distributions in cyclohexane and selected methylcyclohexanes indicates that no effect other than that described by the relationship δC = −237.1 qC + 242.64 between C-13 chemical shifts and C net charges (as determined for the alkanes) contributes to any significant extent to the shielding of the carbon atoms. This is no longer true for cyclopropane.

Publisher

Canadian Science Publishing

Subject

Organic Chemistry,General Chemistry,Catalysis

Link

http://www.nrcresearchpress.com/doi/pdf/10.1139/v75-339

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4. Influence of γ-hydrogens (hydrogens three bonds away) in calculating13C chemical shifts of acyclic alkanes and alcohols;Magnetic Resonance in Chemistry;1999-03

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