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      https://www.ias.ac.in/article/fulltext/jcsc/102/02/0107-0115

    • Keywords

       

      Isolobal analogy; trivalent borane; divalent silicon; MNDO calculations

    • 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.

    • Author Affiliations

       

      Eluvathingal D Jemmis1 Bharatam V Prasad1 PV A Prasad1 Seiji Tsuzuki2 Kazutoshi Tanabe2

      1. School of Chemistry, University of Hyderabad, Central University P O, Hyderabad - 500 134, India
      2. The National Chemical Laboratory for Industry, Tsukuba, Ibaraki - 305, Japan
    • Dates

       
  • Journal of Chemical Sciences | News

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