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Nuclear magnetic resonance spectra of B2H7-. Preparation and properties of triphenylmethylphosphonium heptahydrodiborate(1-), [P(C6H5)3CH3+][B2H7-]

โœ Scribed by Hertz, R. K.; Johnson, H. D.; Shore, S. G.


Book ID
125902519
Publisher
American Chemical Society
Year
1973
Tongue
English
Weight
397 KB
Volume
12
Category
Article
ISSN
0020-1669

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Ab initio SCF MO results for the carbora
โœ Benjamin M. Gimarc; Baiching Dai; Jane J. Ott ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 246 KB

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