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
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DOI：
10.1021/jp711300w
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发表时间：
2008-05-29
影响因子：
3.7
通讯作者：
Guenter, Peter
中科院分区：
文献类型：
--
作者：
Kwon, Seong-Ji;Kwon, O-Pil;Guenter, Peter
设计了基于3,5-二甲基-2环己烯-1-酮的新型有机非线性光学构型锁定多烯（CLP）晶体，并研究了它们的超分子组织。从乙腈溶液中生长出大尺寸的无心单晶 2-(5-甲基-3-(4-(吡咯烷-1-基)苯乙烯基)环己-2-烯基)丙二腈 (MH2)，最大边长可达 1 cm。无心MH2晶体呈现单斜空间群对称性Cc，并表现出较大的宏观非线性，在1.9μm处具有与经过充分研究的DAST（NN-二甲氨基-甲基芪唑鎓对甲苯磺酸盐）类似的粉末二次谐波产生效率，比之前研究的类似CLP晶体大约七倍。还使用量子化学计算从理论上研究了微观和宏观非线性。
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.