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二乙氨基苯乙烯基吡啶鎓萘-2-磺酸盐(DESNS)单晶的合成、生长、晶体结构、光谱、热学、力学及光学研究

Synthesis, growth, crystal structure, spectral, thermal, mechanical and optical studies of stilbazolium derivative single crystal: 2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium naphthalene-2-sulfonate (DESNS).

作者信息

Senthil K, Kalainathan S, Ruban Kumar A

机构信息

Centre for Crystal Growth, School of Advanced Sciences, VIT University, Vellore 632 014, Tamil Nadu, India.

Centre for Crystal Growth, School of Advanced Sciences, VIT University, Vellore 632 014, Tamil Nadu, India.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Apr 24;124:603-10. doi: 10.1016/j.saa.2014.01.064. Epub 2014 Jan 23.

DOI:10.1016/j.saa.2014.01.064
PMID:24509538
Abstract

Single crystals of organic optical material, 2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium naphthalene-2-sulfonate (DESNS) (15×10×9 mm(3)) were grown by a slow evaporation technique at room temperature using methanol-acetonitrile (1:1) mixed solvent. The molecular structure of the grown crystal was confirmed by single crystal X-ray diffraction studies, and it belongs to orthorhombic system with space group Pbca and the unit cell dimentions are a=11.5148(3) Å, b=15.4352(4) Å, c=27.2187(7) Å, Z=8. The crystallinity of the title crystals was confirmed from the powder XRD pattern. The presence of functional groups of the title crystal was confirmed from the FTIR spectral studies. The transparent range and cut off wavelength of the grown crystal was studied by the UV-Vis-NIR spectroscopic analysis. The mechanical properties and thermal behavior of the grown crystals were studied from Vickers microhardness test and TG/DTA.

摘要

采用缓慢蒸发技术,在室温下以甲醇 - 乙腈(1:1)混合溶剂生长出尺寸为15×10×9 mm³的有机光学材料2-[2-(4-二乙氨基苯基)-乙烯基]-1-甲基吡啶萘-2-磺酸盐(DESNS)单晶。通过单晶X射线衍射研究确定了生长晶体的分子结构,其属于正交晶系,空间群为Pbca,晶胞参数为a = 11.5148(3) Å,b = 15.4352(4) Å,c = 27.2187(7) Å,Z = 8。从粉末XRD图谱证实了标题晶体的结晶度。通过FTIR光谱研究证实了标题晶体官能团的存在。通过UV-Vis-NIR光谱分析研究了生长晶体的透明范围和截止波长。通过维氏显微硬度测试和TG/DTA研究了生长晶体的力学性能和热行为。

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