Synthesis, Structure, and Optical Properties of 1,4-Dithiafulvene-Based Nonlinear Optic-phores

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• 作者：Silvia Alí ; as ; Raquel Andreu ; Marí ; a Jesú ; s Blesa ; Santiago Franco ; Javier Garí ; n ; Aurora Gragera ; Jesú ; s Orduna ; Pilar Romero ; Belé ; n Villacampa ; Magali Allain
• 刊名：Journal of Organic Chemistry
• 出版年：2007
• 出版时间：August 17, 2007
• 年：2007
• 卷：72
• 期：17
• 页码：6440 - 6446
• 全文大小：132K
• 年卷期：v.72,no.17(August 17, 2007)
• ISSN：1520-6904

文摘

D=jo070694vn00001>Polyenic nonlinear optic (NLO)-phores with a proaromatic 1,4-dithiafulvene electron donor and the littleexplored 1,1,3-tricyano-2-phenylpropene acceptor have been synthesized. Their configurational andconformational features, ground state polarization, and linear and nonlinear optical properties have beendetermined experimentally and theoretically, and the results are compared to those of tetrathiafulvalene-related derivatives. The newly prepared compounds show close to optimal bond length alternation valuesfor maximizing the first molecular hyperpolarizability, and one of them displays the highest ddle">₀ valueever reported for a dithiafulvene-based NLO-phore. The first example of a dithiafulvenylmethylene transferreaction is also reported.