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Electronic effects of 1-(1, 7-B6H6C2H) and 1-(1,6-B7H7C2H) groups

โœ Scribed by L. I. Zakharkin; V. N. Kalinin; E. G. Rys; B. A. Kvasov

Book ID
112423874
Publisher
Springer
Year
1972
Tongue
English
Weight
178 KB
Volume
21
Category
Article
ISSN
1573-9171

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We report the geometry-optimized total energies and bond distances for the closo-carborane isomers 3,5-CzB6H8, 1,7-CzB7Hs, and 1,2-CzB7Hs calculated by the ab initio SCF MO method using the STO-3G basis set. Relative energies are compared with those of the other carborane isomers in the 8-and 9atom