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  Home > JCE Print > Journal of Chemical Education > Issues > 2001  > June  >
Information • Textbooks • Media • Resources
Molecular Modeling Exercises and Experiments
Integrating Molecular Modeling into the Inorganic Chemistry Laboratory
Craig D. Montgomery
Department of Chemistry, Trinity Western University, Langley, BC V2Y 1Y1, Canada
Cover
June 2001
Vol. 78 No. 6
p. 840
Abstract
An exercise in molecular modeling is described for each of four common undergraduate lab experiments in inorganic chemistry. The molecular orbitals of BF3 and NMe3 are determined and examined as part of the experiment in which these two compounds combine to form an adduct. To accompany the preparation of linkage isomers, an exercise predicts the relative stability of the nitro isomer over the nitrito isomer and determines a possible transition state in the isomerization. The carbonyl stretching frequencies of [1,3,5-CH3(CH3)]Mo(CO)3 are calculated. Also the relative stabilities of eclipsed and staggered ferrocene derivatives are determined.
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HyperChem data files are available.
*  Contents F0190759.HIN, F0290759.HIN, F0390759.HIN, F0490759.HIN, F0590759.HIN, F0690759.HIN
*  Download
JCE2001p0840W.sit

JCE2001p0840W.zip
More Information
*  Citation
 Montgomery, Craig D. J. Chem. Educ. 2001 78 840.
*  Keywords
 Computational Chemistry; Laboratory Instruction; Molecular Modeling / Dynamics; Transition Elements; Inorganic Chemistry; Laboratory Computing / Interfacing
*  History
 Created:
Last Updated:		 May 8, 2001
August 31, 2005
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