Synthesis, Crystal Structure, Quantum Chemistry Calculation and Thermal Stability of the Tricyclohexyltin Nicotinate

被引：1

作者：

Kuang Dai-Zhi ^{[1
]}

Jiang Wu-Jiu ^{[1
]}

Feng Yong-Lan ^{[1
]}

Zhang Fu-Xing ^{[1
]}

Wang Jian-Qiu ^{[1
]}

Yu Jiang-Xi ^{[1
]}

机构：

[1] Hengyang Normal Univ, Dept Chem & Mat Sci, Coll Hunan Prov, Key Lab Funct Organometall Mat, Hengyang 421008, Hunan, Peoples R China

来源：

CHINESE JOURNAL OF INORGANIC CHEMISTRY | 2013年 / 29卷 / 02期

关键词：

organotin carboxylates; synthesis; crystal structure; quantum chemical calculation; thermal stability; ORGANOTIN COMPLEX;

D O I：

10.3969/j.issn.1001-4861.2013.00.079

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The tricyclohexyltin nicotinate has been synthesized and characterized by IR, H-1 NMR spectra, elemental analysis. The crystal structure has been determined by X-ray diffraction. In the molecular structure of the title complex, the tin atoms are five-coordinated in a distorted trigonal bipyramidal geometry. A one-dimensional linear polymer is formed through an interaction between the N atoms of nicotinic acid and tin atoms of an adjacent tricyclohexyltin nicotinate molecule. Besides, a 3D supramolecular framework is formed by intermolecular C-H center dot center dot center dot O bonds. Finally, the stability, frontier orbital composition and energy of the title complex were discussed with Lanl2dz basis set and G03W program. The TG analysis shows that complex is stable below 273 degrees C. CCDC: 817178.

引用

页码：413 / 418

页数：6

共 26 条

[1] Imine-functionalized, fluorescent organomercury and -tellurium compounds
Chandrasekhar, Vadapalli
Kumar, Arun
Pandey, Mrituanjay D.
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2010, 695 (01) : 74 - 81
[2] Chen ZM, 2006, CHINESE J INORG CHEM, V22, P498
[3] Steric control over molecular structure and supramolecular association exerted by tin- and ligand-bound groups in diorganotin carboxylates
Dakternieks, D
Duthie, A
Smyth, DR
Stapleton, CPD
Tiekink, ERT
[J]. ORGANOMETALLICS, 2003, 22 (22) : 4599 - 4603
[4] F AEleen, 2005, GAUSSIAN 03 USERS RE
[5] Feng YL, 2011, CHINESE J INORG CHEM, V27, P1793
[6] Jiang WJ, 2011, CHINESE J STRUC CHEM, V30, P1327
[7] Kuang DZ, 2008, CHINESE J STRUC CHEM, V27, P35
[8] Kuang DZ, 2011, CHINESE J INORG CHEM, V27, P1981
[9] Kuang DZ, 2008, CHINESE J STRUC CHEM, V27, P1514
[10] Luminescent organotin complexes with the ligand benzil bis(benzoylhydrazone)
Lopez-Torres, Elena
Medina-Castillo, Antonio L.
Fernandez-Sanchez, Jorge F.
Antonia Mendiola, M.
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2010, 695 (21) : 2305 - 2310

← 1 2 3 →