Effects of fluorine atoms on the optical nonlinear response of stilbene derivatives

TitleEffects of fluorine atoms on the optical nonlinear response of stilbene derivatives
Publication TypeJournal Article
Year of Publication2004
Romaniello, P, Lelj, F
JournalJOURNAL OF FLUORINE CHEMISTRY
Volume125
Issue2
Pagination145-149
Date PublishedFEB 2
Keywordspaper
Abstract

The effect of fluorine atoms on the second-order optical nonlinear response of 4-nitro-4'-methoxy-trans-stilbene and polyene derivatives containing up to three double bonds (n = 1, 2, 3) has been investigated within a semiempirical context (PM3 Hamiltonian). Experimental data reported in literature indicate a beta(vec)(SHG) value of 34,47 and 76(x10(-30) esu) for n = 1, 2, 3, respectively, at 0.65 eV in CHCl3 solutions. Our calculations show that fluorinating the nitrophenyl group the beta(vec)(SHG) is doubled. Further increase in the second-order nonlinear response can be obtained fluorinating the C=C bond linkers between the aromatic moieties. Besides, the effect of different donor-acceptor pairs has been studied and the results interpreted in the two-state model context. Some results concerning the third-harmonic generation (THG), gamma (THG), are presented, and a possible interpretation proposed. (C) 2003 Elsevier B.V. All rights reserved.

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