IS THERE ANY 3-CENTER CBC BOND IN 1,5-C2B3H5 AND 1,5-C2B3H3

Authors
KAR T JUG K
Citation
T. Kar et K. Jug, IS THERE ANY 3-CENTER CBC BOND IN 1,5-C2B3H5 AND 1,5-C2B3H3, International journal of quantum chemistry, 53(4), 1995, pp. 407-412
Citations number
27
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
53
Issue
4
Year of publication
1995
Pages
407 - 412
Database
ISI
SICI code
0020-7608(1995)53:4<407:ITA3CB>2.0.ZU;2-X
Abstract
Localized molecular orbitals, two- and three-center bond indices of 1, 5-dicarba-closo-pentaborane (5) and 1,5-dicarba-closo-pentaborane (3) and thier hydrocarbon analogs bicyclo[1,1,1]-pentane and [1,1,1]propel lane, respectively, have been calculated using a suitable basis set. N o previously reported three-center CBC bond has been found. However, a new three-center BCB bond has been observed in 1,5-dicarba-closo-pent aborane (5). (C) 1995 John Wiley & Sons, Inc.