title: Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy.
abstract: Two-dimensional infrared (2D IR) spectroscopy was used to study the vibrational modes of three quinones--benzoquinone, naphthoquinone, and anthraquinone. The vibrations of interest were in the spectral range of 1560-1710 cm(-1), corresponding to the in-plane carbonyl and ring stretching vibrations. Coupling between the vibrational modes is indicated by the cross peaks in the 2D IR spectra. The diagonal and off-diagonal anharmonicities range from 4.6 to 17.4 cm(-1) for the quinone series. In addition, there is significant vibrational coupling between the in-plane carbonyl and ring stretching vibrations. The diagonal anharmonicity, off-diagonal anharmonicity, and vibrational coupling constants are reported for benzoquinone, naphthoquinone, and anthraquinone.
authors.affiliation: Chemistry Department, Colorado State University, Fort Collins, Colorado 80523-1872, United States.
authors.forename: Jenée D
authors.initials: JD
authors.lastname: Cyran
authors.affiliation: Chemistry Department, Colorado State University, Fort Collins, Colorado 80523-1872, United States.
authors.forename: Jacob M
authors.initials: JM
authors.lastname: Nite
authors.affiliation: Chemistry Department, Colorado State University, Fort Collins, Colorado 80523-1872, United States.
authors.forename: Amber T
authors.initials: AT
authors.lastname: Krummel
mesh_terms: D002725:Chloroform / Q000737:chemistry; D003198:Computer Simulation; D008956:Models, Chemical; D015394:Molecular Structure; D011809:Quinones / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry; D013055:Spectrophotometry, Infrared / Q000379:methods*; D014732:Vibration
chemical_list: D011809:Quinones; D012997:Solvents; D002725:Chloroform