Vibrational characteristics and vibrational contributions to the nonlinear optical properties of a push-pull polyene in solution

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Abstract

The frequency shift and IR and Raman intensity changes of the characteristic vibrational mode of a pushpull polyene in polar solvent are described theoretically by using a simple two-state model. Depending on the electronic structure of the ground state in solution, the characteristic vibrational frequency can be either red-shifted or blue-shifted as the solvent polarity increases. The IR and Raman intensities are also found to be greatly influenced by the solvation. Finally, the solvation effects on the vibrational contributions to the molecular hyperpolarizabilities are briefly discussed.

Original languageEnglish
Pages (from-to)703-707
Number of pages5
JournalJournal of Physical Chemistry A
Volume102
Issue number4
Publication statusPublished - 1998 Jan 22

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Polyenes
Solvation
solvation
Optical properties
optical properties
Vibrational spectra
Ground state
frequency shift
Electronic structure
vibration mode
polarity
electronic structure
ground state

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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