Fluorescence, computational enactments of dimethyl N,N'-(ethyne-1, 2-di-yl)Bis-(1,4-phenyl-ene carbon-yl)bis-(l-alaninate) crystals

机译：荧光，二甲基N，N' - （乙炔-1,2-二-Y1）双 - （1,4-苯基 - 烯烃碳-Y1）双（L-丙酸盐）晶体

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DLA crystals are of NLO type of second order and are having wide scope of uses in many applications in refrangibility and which have Empirical formula as C_(24)H_(24)N_2O_6, Crystal system is Monoclinic, Space group is P2_1 and lattice parameters are a as 4.9410 A, b as 39.0151 A, c as 5.8446 A, β as 100.91° and Volume is 1126.68 A~3 and crystallite size is 0.25×0.16×0.25 mm~3. The FL property is measured for DLA crystals and found that the emission peak is at 396 nm and band gap is 3.133 eV suitable for non centrosymmetric crystals. The crystals of DLA are crammed for MEP, HOMO-LUMO, Surface plots, IR by DFT.

机译：DLA晶体是NLO类型的二阶，在许多应用中具有广泛的用途，其在可磨损的许多应用中，其具有C_（24）H_（24）N_2O_6，晶体系统是单斜晶的，空间组是P2_1和晶格参数。 a为4.9410a，b为39.0151a，c为5.846a，β为100.91°和体积为1126.68 a〜3和微晶尺寸为0.25×0.16×0.25mm〜3。对DLA晶体测量的FL特性，发现发射峰处于396nm，带隙是3.133eV适用于非亚聚对称晶体。 DLA的晶体挤满了MEP，Homo-Lumo，表面图，DFT的IR。

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《International Conference on Physics and Chemistry of Materials in Novel Engineering Applications》|2020年|various paging|共4页
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K. Senthil Kannan; P. Thamarikannan; V. Kalaipoonguzhali; K. Venkatachalam; S. Kannan; A. Baskar;
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Fluorescence, computational enactments of dimethyl N,N'-(ethyne-1, 2-di-yl)Bis-(1,4-phenyl-ene carbon-yl)bis-(l-alaninate) crystals

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