三苯基锡9-蒽甲酸酯的合成、表征、荧光、热稳定性及量子化学研究

引用本文: 庾江喜, 邝代治, 冯泳兰, 张复兴, 王剑秋, 蒋伍玖, 朱小明, 彭雁, 杨溢. 三苯基锡9-蒽甲酸酯的合成、表征、荧光、热稳定性及量子化学研究[J]. 无机化学学报, 2013, 29(12): 2688-2694. doi: 10.3969/j.issn.1001-4861.2013.00.373 shu

Citation: YU Jiang-Xi, KUANG Dai-Zhi, FENG Yong-Lan, ZHANG Fu-Xing, WANG Jian-Qiu, JIANG Wu-Jiu, ZHU Xiao-Ming, PENG Yan, YANG Yi. Synthesis, Characterization, Fluorescence, Thermal Property and Quantum Chemistry of Triphenyltin 9-Anthroicarboxylate[J]. Chinese Journal of Inorganic Chemistry, 2013, 29(12): 2688-2694. doi: 10.3969/j.issn.1001-4861.2013.00.373 shu

三苯基锡9-蒽甲酸酯的合成、表征、荧光、热稳定性及量子化学研究

庾江喜 ^1, ,
邝代治 ^1, ,
冯泳兰 ^1, ,
张复兴 ^1, ,
王剑秋 ^1, ,
蒋伍玖 ^1, ,
朱小明 ^1, ,
彭雁 ^1, ,
杨溢 ^2,

基金项目:
湖南省自然科学基金(No.11JJ3021)，湖南省科技计划(No.2013TZ2025)湖南省教育厅创新平台开放基金(No.10K010) (No.11JJ3021)，湖南省科技计划(No.2013TZ2025)湖南省教育厅创新平台开放基金(No.10K010)

一般项目(No.12C0537)，湖南省普通高校功能金属有机材料重点实验室开放基金(No.10K02)，衡阳市科技计划(No.2011KG56，2012KJ30)，衡阳师范学院青年骨干教师培养计划(2012) (No.12C0537)，湖南省普通高校功能金属有机材料重点实验室开放基金(No.10K02)，衡阳市科技计划(No.2011KG56，2012KJ30)，衡阳师范学院青年骨干教师培养计划(2012)

南岳学院大学生研究性学习与创新性实验(No.NYD201205)资助项目。 (No.NYD201205)

摘要: 在甲醇中三苯基氢氧化锡与9-蒽甲酸反应，合成了有机锡配合物[PH₃Sn(O₂CC₁₄H₉)(MeOH)]₂·MeOH，经IR、¹H和¹³C-NMR、元素分析及X-射线单晶衍射表征结构。晶体结构分析表明：配合物中心锡原子为五配位畸变三角双锥构型。晶体中，配合物分子的羰基氧与近邻的甲醇氧、两相邻的甲醇氧间分别形成O-H…O氢键，组成一维S形链；经链内蒽环H与另一蒽环的C-H…π作用，进一步连接成梯状结构。两相邻梯状链间，通过配位甲醇的甲基H与另链苯环发生C-H…π作用扩展成二维网状。室温下，配合物在460 nm处有较强的荧光发射(λ_ex=360 nm)。热重分析表明，配合物在240 ℃以下能稳定存在。利用量子化学G03W软件，在LANL2DZ基组对配合物的稳定性、前沿分子轨道组成及能量进行研究。

关键词:

有机锡配合物;晶体结构;荧光;热稳定性;量子化学

English

Synthesis, Characterization, Fluorescence, Thermal Property and Quantum Chemistry of Triphenyltin 9-Anthroicarboxylate

1.
1 Key Laboratory of Functional Organometallic Materials of College of Hunan Province, Department of Chemistry and Material Science, Hengyang Normal University, Hengyang, Hunan 421008, China;
Received Date: 13 February 2013
Fund Project:
湖南省自然科学基金(No.11JJ3021)，湖南省科技计划(No.2013TZ2025)湖南省教育厅创新平台开放基金(No.10K010)

一般项目(No.12C0537)，湖南省普通高校功能金属有机材料重点实验室开放基金(No.10K02)，衡阳市科技计划(No.2011KG56，2012KJ30)，衡阳师范学院青年骨干教师培养计划(2012)

南岳学院大学生研究性学习与创新性实验(No.NYD201205)资助项目。

Abstract: A new organotin complex [PH₃Sn(O₂CC₁₄H₉)(CH₃OH)]₂·CH₃OH has been synthesized by the reaction of triphenyltin hydroxide with 9-anthroic acid in methanol. It was characterized by IR, ¹H and ¹³C NMR, elemental analysis and X-ray crystal diffraction. Crystal structure shows a distorted trigonal bipyramidal configuration with five-coordination for the central tin atom. In the crystal, O-H…O hydrogen-bond interactions exist between the methanol O atom and the carbonyl O atom in an adjacent complex molecule, and between the neighboring methanol O atoms, resulting in the formation of a 1D S-shaped chain. Due to the C-H…π interactions between anthryl-H and anthracene ring, the obtained chain is further linked to form 1D ladderlike structure. Finally, a 2D network has been generated by the C-H…π interactions between methyl-H and benzene ring in the neighbouring 1D ladderlike chains. Fluorescence spectra of the complex reveals a strong emission band at 460 nm when excited with 360 nm radiation at room temperature. Thermogravimetric analysis shows that the complex is stable up to 240 ℃. The stability of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated at LANL2DZ level with G03W software. CCDC: 899826.

Key words:

organotin complex;crystal structure;fluorescence;thermal stability;quantum chemistry

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沈阳化工大学材料科学与工程学院沈阳 110142

三苯基锡9-蒽甲酸酯的合成、表征、荧光、热稳定性及量子化学研究

English

Synthesis, Characterization, Fluorescence, Thermal Property and Quantum Chemistry of Triphenyltin 9-Anthroicarboxylate

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

三苯基锡9-蒽甲酸酯的合成、表征、荧光、热稳定性及量子化学研究

English

Synthesis, Characterization, Fluorescence, Thermal Property and Quantum Chemistry of Triphenyltin 9-Anthroicarboxylate

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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