Highly nonlinear optical configurationally locked triene crystals based on 3,5-dimethyl-2-cyclohexen-1-one

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New organic nonlinear optical configurationally locked polyene (CLP) crystals based on 3,5-dimethyl-2cyclohexen-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 I 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 mu m as the well-studied DAST (NN-dimethylaminoff-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.
Publisher
AMER CHEMICAL SOC
Issue Date
2008-05
Language
English
Article Type
Article
Keywords

WAVE-GUIDES; ORGANIC MATERIALS; POLYENE CRYSTALS; CHARGE-TRANSFER; GENERATION; DESIGN; RECTIFICATION; FABRICATION; MOLECULES; GROWTH

Citation

JOURNAL OF PHYSICAL CHEMISTRY C, v.112, no.21, pp.7846 - 7852

ISSN
1932-7447
DOI
10.1021/jp711300w
URI
http://hdl.handle.net/10203/90811
Appears in Collection
CH-Journal Papers(저널논문)
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