Structure and Bonding in Group 14 Congeners of Ethene: DFT Calculations in the Inorganic Chemistry Laboratory   

Bennett R. Streit and David K. Geiger

Department of Chemistry, State University of New York College at Geneseo, Geneseo, NY 14454    

Abstract

A computational chemistry experiment for an advanced inorganic chemistry laboratory is described. DFT calculations are performed to determine the optimized geometries of compounds of the type H2E=EH2. Structural parameters are compared for E=C, Si, and Ge. Guided inquiry into the nature of the bonding and energetics of E=E bond dissociation are pursued by examining the singlet and triplet EH2 fragments.

Journal of Chemical Education, 2005, 82, 111            Full text (PDF) | Supplement

  -- SiripornJu - 08 Mar 2007