Spin-spin coupling constants C-13-C-13 in structural investigations: XXIX.Sterically strained systems: Carcass carbocycles

Citation
Ea. Chirkina et al., Spin-spin coupling constants C-13-C-13 in structural investigations: XXIX.Sterically strained systems: Carcass carbocycles, RUSS J ORG, 36(4), 2000, pp. 509-521
Citations number
35
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
ISSN journal
10704280 → ACNP
Volume
36
Issue
4
Year of publication
2000
Pages
509 - 521
Database
ISI
SICI code
1070-4280(200004)36:4<509:SCCCIS>2.0.ZU;2-H
Abstract
A calculation was carried out within the framework of self-consistent theor y of finite perturbations SCPT INDO for coupling constants C-13-C-13, and e stimation was performed of orbital hybridization of carbon-carbon bonds in 30 carcass carbocycles: polyhedranes, prismanes, tricycloalkanes, and cuban es. We established that all the compounds studied to a certain degree posse ssed abnormally low s-character of the carbon-carbon bonds that decreased w ith growing dihedral angle and bond length.