Electronic Spectra of Conjugated Systems: A Modern Update for a Classic Experiment

Leonard J. Soltzberg
Department of Chemistry, Simmons College, Boston, MA 02115-5868
J. Chem. Educ., 2001, 78 (10), p 1432
DOI: 10.1021/ed078p1432
Publication Date (Web): October 1, 2001

Abstract

This junior/senior physical chemistry experiment improves upon a classic physical chemistry laboratory by incorporating multielectron configuration interaction (MECI), as implemented in desktop molecular modeling software. In addition to integrating computational chemistry with laboratory work, this experiment gives practical significance to several concepts in quantum chemistry and molecular modeling.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

Molecular Modeling Exercises and Experiments

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry

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History

  • Received: August 03, 2009

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