Characterizing anharmonic vibrational modes of quinones with two-dimensional infrared spectroscopy

JD Cyran, JM Nite, AT Krummel - The Journal of Physical …, 2015 - ACS Publications
The Journal of Physical Chemistry B, 2015ACS Publications
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 …
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.
ACS Publications
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