Synthesis, crystal structure and theoretical study of Al(III) complex with (2-(2-hydroxyphenyl)benzimidazolate cocrystallized by DMF solvate

被引：0

作者：

Tong, Yi-Ping ^{[1
,2
]}

Lin, Yan-Wen ^{[3
]}

机构：

[1] Hanshan Normal Univ, Inst Inorgan Chem, Chaozhou 521041, Peoples R China

[2] Hanshan Normal Univ, Dept Chem, Chaozhou 521041, Peoples R China

[3] Hanshan Normal Univ, Dept Biochem, Chaozhou 521041, Peoples R China

来源：

MAIN GROUP METAL CHEMISTRY | 2010年 / 33卷 / 1-2期

关键词：

Crystal structure; Al(III) complex; The density functional theory; 2-(2-Hydroxyphenyl)benzimidazole; Molecular orbitals; Theoretical calculation; LUMINESCENT PROPERTIES; PHOTOLUMINESCENCE;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The aluminium(III) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Al-2(mu-OH)(2)L-4)]center dot 6DMF center dot 2HL (1 center dot 6DMF center dot 2HL) (HL = 2-(2-hydroxyphenyl)benzimidazole), has been synthesized and characterized by X-ray crystallography. It crystallizes in monoclinic space group C2/c with the cell parameters a = 23.6752(13) angstrom, b = 20.8253(12) angstrom, c = 18.1645(10) angstrom, beta = 91.929(1)degrees, Z = 4, V = 8950.8(9) angstrom(3). The dimeric structure of 1, featuring [Al-2(mu-OH)(2)] core has been studied with the density functional theory level (DFT) calculation and molecular orbital analysis.

引用

页码：41 / 51

页数：11

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