To Be or Not to Be Symmetric: That is the Question for Potentially Active Vibronic Modes

Autor/inn/en	Tyler, Sarah F.; Judkins, Eileen C.; Morozov, Dmitry; Borca, Carlos H.; Slipchenko, Lyudmila V.; McMillin, David R.
Titel	To Be or Not to Be Symmetric: That is the Question for Potentially Active Vibronic Modes
Quelle	In: Journal of Chemical Education, 94 (2017) 9, S.1232-1237 (6 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Zusatzinformation	ORCID (Slipchenko, Lyudmila V.) ORCID (McMillin, David R.)
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
DOI	10.1021/acs.jchemed.7b00289
Schlagwörter	Science Instruction; College Science; Undergraduate Study; Inorganic Chemistry; Spectroscopy; Science Laboratories; Scientific Concepts; Molecular Structure; Metallurgy; Energy + Suchen Sie Ihr Suchwort? Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Grundstudium; Anorganische Chemie; Spektroskopie; Hüttenwesen; Energie
Abstract	Electronic spectra often exhibit vibronic structure when vibrational and electronic transitions occur in concert. Theory reveals (1) that orbital symmetry considerations determine specific roles played by the nuclear degrees of freedom and (2) that the vibrational excitation is often highly regiospecific, that is, attributable to an identifiable subset of atoms within the molecule. Spectra obtained from a chromium(III) complex involving a macrocyclic ligand and two axially disposed butadiynide groups nicely illustrate many of the concepts involved. (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	2020/1/01