Isolobal analogy between trivalent boron and divalent silicon |
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| Authors: | Eluvathingal D Jemmis Bharatam V Prasad PV A Prasad Seiji Tsuzuki Kazutoshi Tanabe |
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| Affiliation: | (1) School of Chemistry, University of Hyderabad, Central University P O, 500 134 Hyderabad, India;(2) The National Chemical Laboratory for Industry, 305 Tsukuba, Ibaraki, Japan |
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| Abstract: | Singlet organosilylenes with a lone pair and an emptyp orbital are isolobal to trivalent borane if a B-H is equated to the lone pair on Si. Using this analogy, a particular isomer of CSi2H2 (24) is predicted to be a stable structure. MNDO calculations on24 and many of its possible isomers suggest that24 is at global minimum on the potential energy surface of CSi2H2.Ab initio calculations using a, minimal STO-3G basis set, on some selected structures also support these results. |
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| Keywords: | Isolobal analogy trivalent borane divalent silicon MNDO calculations |
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