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

摘要

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]propellane, respectively, have been calculated using a suitable basis set. No previously reported three-center CBC bond has been found. However, a new three-center BCB bond has been observed in 1,5-dicarba-closo-pentaborane (5). (C) 1995 John Wiley & Sons, Inc. [References: 27]