Is there any three-center CBC bond in 1, 5-C2B3H5 and 1,5-C2B3H3? |
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| Authors: | Tapas Kar Karl Jug |
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| 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 their 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 ). © 1995 John Wiley & Sons, Inc. |
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