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This article is cited in 5 scientific papers (total in 5 papers)
Spectroscopy of condensed matter
The effect of a polar solvent on the $\pi\pi$*-bands of chlorophenol isomers
E. E. Tseplin, S. N. Tseplina, O. G. Khvostenko Institute of Molecule and Crystal Physics, Ufa Federal Research Center, Russian Academy of Sciences, 450075, Ufa, Russia
Abstract:
The optical absorption spectra of para -, meta -, and ortho -chlorophenol in the gas phase and in a polar solvent (methanol) are recorded. It is shown that the bathochromic shifts of the first and second $\pi\pi$* absorption bands in a methanol solution compared to their positions in the gas phase are caused by the formation of a hydrogen bond between chlorophenol and methanol molecules and by the effect of solvent on the formed hydrogen complex. The result was obtained by calculating electronic spectra by the TDDFT B3LYP/6-311++G(d,p) method with the use of the polarizable continuum model.
Received: 11.04.2018
Citation:
E. E. Tseplin, S. N. Tseplina, O. G. Khvostenko, “The effect of a polar solvent on the $\pi\pi$*-bands of chlorophenol isomers”, Optics and Spectroscopy, 125:4 (2018), 485–490; Optics and Spectroscopy, 125:4 (2018), 506–511
Linking options:
https://www.mathnet.ru/eng/os882 https://www.mathnet.ru/eng/os/v125/i4/p485
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