Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy.

J Phys Chem B

Chemistry Department, Colorado State University, Fort Collins, Colorado 80523-1872, United States.

Published: July 2015

AI Article Synopsis

  • Two-dimensional infrared (2D IR) spectroscopy was utilized to analyze the vibrational properties of three quinones: benzoquinone, naphthoquinone, and anthraquinone, focusing on the 1560-1710 cm(-1) spectral range.
  • The study noted that cross peaks in the 2D IR spectra indicate coupling between different vibrational modes, suggesting complex interactions within these molecules.
  • The research reported specific values for diagonal and off-diagonal anharmonicities, ranging from 4.6 to 17.4 cm(-1), and highlighted the notable vibrational coupling between carbonyl and ring stretching vibrations in each quinone.

Article 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.

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Source
http://dx.doi.org/10.1021/jp506900nDOI Listing

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