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A novel approach to evaluate non linear optical response in organic conjugated molecules from vibrational spectra

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3 Author(s)
Castiglioni, C. ; Politecnico di Milano ; Del Zoppo, M. ; Zerbi, G.

Summary form only given. The experimental and theoretical hyperpolarizabilities (/spl szlig/ and /spl gamma/) of several low band gap organic molecules are studied. These data are compared with the relaxation contributions (/spl szlig//sup r/ and /spl gamma///sup r/) calculated from vibrational observables (i.e. from infrared and Raman frequencies and intensities) on the basis of a model previously proposed by us. In all the cases studied the striking observation is made that the experimental and theoretical /spl szlig/ and (/spl szlig//sup r/ or, /spl gamma/ and /spl gamma//sup r/ are practically identical. These findings suggest that the evaluation of (/spl szlig//sup r/ and /spl gamma//sup r/ from vibrational data of low band gap molecules becomes an alternative way to measure molecular hyperpolarizabilities. The physical basis for this idea and its relevance will be presented and discussed.

Published in:

Science and Technology of Synthetic Metals, 1994. ICSM '94. International Conference on

Date of Conference:

24-29 July 1994