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

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Bennett R. Streit and David K. Geiger

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

J. Chem. Educ., 2005, 82 (1), p 111

DOI: 10.1021/ed082p111

Publication Date (Web): January 1, 2005

Section:

History, Education, and Documentation

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.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Inorganic Chemistry

Keywords (Feature):

Molecular Modeling Exercises and Experiments

Keywords (Subject):

Computational Chemistry

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