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 language | English |
|---|---|
| Pages (from-to) | 703-707 |
| Number of pages | 5 |
| Journal | Journal of Physical Chemistry A |
| Volume | 102 |
| Issue number | 4 |
| Publication status | Published - 1998 Jan 22 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
Cite this
Vibrational characteristics and vibrational contributions to the nonlinear optical properties of a push-pull polyene in solution. / Cho, Minhaeng.
In: Journal of Physical Chemistry A, Vol. 102, No. 4, 22.01.1998, p. 703-707.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Vibrational characteristics and vibrational contributions to the nonlinear optical properties of a push-pull polyene in solution
AU - Cho, Minhaeng
PY - 1998/1/22
Y1 - 1998/1/22
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=0031698519&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0031698519
VL - 102
SP - 703
EP - 707
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 4
ER -