Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

Autor/in	Wang, Lihua
Titel	Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds
Quelle	In: Journal of Chemical Education, 89 (2012) 3, S.360-364 (5 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
DOI	10.1021/ed200538c
Schlagwörter	Teaching Methods; Visual Aids; Inorganic Chemistry; Science Instruction; Metallurgy; Light; Scientific Concepts; Theories; Computer Uses in Education; Educational Technology; Molecular Structure; Computation; Spectroscopy; College Science; Undergraduate Study + Suchen Sie Ihr Suchwort? Teaching method; Lehrmethode; Unterrichtsmethode; Anschauungsmaterial; Anorganische Chemie; Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Hüttenwesen; Licht; Theory; Theorie; Computernutzung; Unterrichtsmedien; Spektroskopie; Grundstudium
Abstract	A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by computer molecular modeling. It can be implemented in an upper-level inorganic chemistry course. Using molecular modeling techniques, students are able to calculate the IR spectra of organometallic compounds and watch the animated movies of vibrational modes in action. Visual images of vibrational modes help students to identify the characteristic peaks in an IR spectrum and enable them to see the symmetry properties of vibrational modes and understand the physical meaning of the irreducible representations of the vibrational modes. In addition, the visual images of vibrational modes help students to understand why some of the vibrational modes are IR active whereas others are not. Results of sample calculations using both semiempirical and density functional theory methods are discussed. Student evaluations on the teaching method are also presented. (Contains 4 tables and 1 figure.) (As Provided).
Anmerkungen	Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2017/4/10