Highly Nonlinear Optical Configurationally Locked Triene Crystals Based on 3,5-Dimethyl-2-cyclohexen-1-one

Highly Nonlinear Optical Configurationally Locked Triene Crystals Based on 3,5-Dimethyl-2-cyclohexen-1-one

New organic nonlinear optical configurationally locked polyene (CLP) crystals based on 3,5-dimethyl-2-cyclohexen-1-one have been designed and their supramolecular organization investigated. Acentric single crystals 2-(5-methyl-3-(4-(pyrrolidin-1-yl)styryl)cyclohex-2-enylidene)malononitrile (MH2) of...

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Veröffentlicht in:Journal of physical chemistry. C 2008-05, Vol.112 (21), p.7846-7852
Hauptverfasser: Kwon, Seong-Ji, Kwon, O-Pil, Seo, Jung-In, Jazbinsek, Mojca, Mutter, Lukas, Gramlich, Volker, Lee, Yoon-Sup, Yun, Hoseop, Günter, Peter
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container_end_page 7852
container_issue 21
container_start_page 7846
container_title Journal of physical chemistry. C
container_volume 112
creator Kwon, Seong-Ji
Kwon, O-Pil
Seo, Jung-In
Jazbinsek, Mojca
Mutter, Lukas
Gramlich, Volker
Lee, Yoon-Sup
Yun, Hoseop
Günter, Peter
description New organic nonlinear optical configurationally locked polyene (CLP) crystals based on 3,5-dimethyl-2-cyclohexen-1-one have been designed and their supramolecular organization investigated. Acentric single crystals 2-(5-methyl-3-(4-(pyrrolidin-1-yl)styryl)cyclohex-2-enylidene)malononitrile (MH2) of large sizes with a maximal side length of up to 1 cm have been grown from acetonitrile solution. The acentric MH2 crystals present the monoclinic space-group symmetry Cc and exhibit a large macroscopic nonlinearity with a similar powder second-harmonic generation efficiency at 1.9 µm as the well-studied DAST (N,N-dimethylamino-N′-methylstilbazolium p-toluenesulfonate), which is about seven times larger than that of analogous CLP crystals studied previously. The microscopic and macroscopic nonlinearities are also investigated theoretically using quantum chemical calculations.
doi_str_mv 10.1021/jp711300w
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title Highly Nonlinear Optical Configurationally Locked Triene Crystals Based on 3,5-Dimethyl-2-cyclohexen-1-one
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