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  Home > JCE Print > Journal of Chemical Education > Issues > 2005  > January  >
In the Laboratory
Molecular Modeling Exercises and Experiments
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
Cover
January 2005
Vol. 82 No. 1
p. 111
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.
Supplement
A student handout, including a data sheet, and instructor notes for this laboratory experiment are available.
*  Contents Folder JCE2005p0111W containing: JCE2005p0111W.doc (Microsoft Word),
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JCE2005p0111W.pdf

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More Information
*  Citation
 Streit, Bennett R.; Geiger, David K. J. Chem. Educ. 2005 82 111.
*  Keywords
 Computational Chemistry; Inorganic Chemistry; Laboratory Instruction; MO Theory
*  History
 Created:
Last Updated:		 November 29, 2004
December 14, 2004
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