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ERIC Number: EJ1154142
Record Type: Journal
Publication Date: 2017-Sep
Pages: 6
Abstractor: As Provided
ISSN: ISSN-0021-9584
To Be or Not to Be Symmetric: That is the Question for Potentially Active Vibronic Modes
Tyler, Sarah F.; Judkins, Eileen C.; Morozov, Dmitry; Borca, Carlos H.; Slipchenko, Lyudmila V.; McMillin, David R.
Journal of Chemical Education, v94 n9 p1232-1237 Sep 2017
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.
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:; Web site:
Publication Type: Journal Articles; Reports - Research
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: National Science Foundation (NSF)
Authoring Institution: N/A
Grant or Contract Numbers: CHE1465154