Effects of fluorine atoms on the optical nonlinear response of stilbene derivatives |
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Authors: | Pina Romaniello |
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Affiliation: | LaMI Dipartimento di Chimica and LaSCAMM, INSTM Sezione Basilicata, Università della Basilicata, Via N. Sauro 85, 85100 Potenza, Italy |
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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 βvec(SHG) value of 34, 47 and 76 (×10−30 esu) for n=1, 2, 3, respectively, at 0.65 eV in CHCl3 solutions. Our calculations show that fluorinating the nitrophenyl group the βvec(SHG) is doubled. Further increase in the second-order nonlinear response can be obtained fluorinating the CC 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), γ (THG), are presented, and a possible interpretation proposed. |
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Keywords: | Fluorinated stilbenes Second-order nonlinear response Hyperpolarizability Effects of fluorine atoms on βvec |
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