Synthesis, Crystal Structure and Density Functional Theory Studies of 9-Hexyl-3-((pyridin-4-yl)vinyl)-9H-carbazol

被引：0

作者：

Wu Jie-Ying ^{[1
]}

Zhao Qiong ^{[1
]}

Liu Zhao-Di ^{[1
]}

Li Jian-Feng ^{[1
]}

Zhou Hong-Ping ^{[1
]}

Tian Yu-Peng ^{[1
,2
,3
]}

机构：

[1] Anhui Univ, Dept Chem, Anhui Prov Key Lab Funct Inorgan Mat, Hefei 230039, Peoples R China

[2] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China

[3] Nanjing Univ, State Key Lab Coordinat Chem, Nanjing 210093, Peoples R China

来源：

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2009年 / 28卷 / 09期

基金：

中国国家自然科学基金;

关键词：

crystal structure; pyridine; carbazole derivatives; synthesis; spectroscopic characterization; DFT calculations;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A novel pyridine derivate, 9-hexyl-3-((pyridin-4-yl)vinyl)-9H-carbazole, was synthesized and characterized by H-1 NMR spectra and X-ray diffraction analysis. The complex crystallizes in monoclinic, space group P2(1)/n with a = 9.111(5), b = 8.239(5), c = 26.835(5) angstrom, beta = 95.340(5)degrees, M-r = 354.48, V = 2005.6(17) angstrom(3), Z = 4, D-c = 1.174 g/cm(3), mu = 0.068 mm(-1), F(000) = 760, R = 0.0565 and wR = 0.1550 for 12635 observed reflections (I > 2 sigma(I)). Density functional theory (DFT) calculations were carried out to interpret its UV-Vis spectra, and the results are in agreement with the available experiments.

引用

页码：1160 / 1166

页数：7

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