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Non-empirical calculations of NMR indirect carbon–carbon coupling constants. Part 6: Propellanes

✍ Scribed by Leonid B. Krivdin

Publisher
John Wiley and Sons
Year
2003
Tongue
English
Weight
316 KB
Volume
42
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

A full set of carbon–carbon coupling constants have been calculated at the SOPPA level in the series of six most representative propellanes. Special attention was focused on spin–spin couplings involving both bridgehead carbons, and these data were rationalized in terms of the multipath coupling mechanism and hybridization effects. Many unknown couplings in the propellane frameworks were predicted with high reliability. Copyright © 2003 John Wiley & Sons, Ltd.

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