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Synthesis, Crystal Structure and Quantum Chemistry Study of Tri(o-bromobenzyl)tin Ferrocenecarboxylate

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成果类型:
期刊论文
作者:
Wang Jian-Qiu;Kuang Dai-Zhi*;Zeng Rong-Ying;Zhang Fu-Xing;Feng Yong-Lan;...
通讯作者:
Kuang Dai-Zhi
作者机构:
[Feng Yong-Lan; Chen Zhi-Ming; Zhang Fu-Xing; Wang Jian-Qiu; Kuang Dai-Zhi; Zeng Rong-Ying; Kuang, DZ] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
通讯机构:
[Kuang Dai-Zhi] H
Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
语种:
英文
关键词:
tri(o-bromobenzyl)tin ferrocenecarboxylate;synthesis;crystal structure
关键词(中文):
二茂铁甲酸(三氧-溴苯甲基)锡;合成;晶体结构;量子化学
期刊:
Chinese Journal of Structural Chemistry
ISSN:
0254-5861
年:
2007
卷:
26
期:
6
页码:
674-678
基金类别:
Supported by the Key Foundation of Education Committee of Hunan Province (06A009), and the Natural Science Foundation of Hunan Province (05JJ40015, 06JJ50022)
机构署名:
本校为第一且通讯机构
院系归属:
化学与材料科学学院
摘要:
A novel complex tri(o-bromobenzyl)tin ferrocenecarboxylate has been synthesized and its crystal structure was determined by X-ray diffraction. It belongs to orthorhombic, space group Pbca with a = 1.1340(3), b = 1.7823 (4), c = 3.0119(8) nm, V = 6.088(3) nm~3, M_r = 857.81, Z = 8, D_c = 1.872 g/cm~3, μ(MoKα) = 52.63 cm~(-1), F(000) = 3328, R = 0.0683 and wR = 0.1057. The tin atom adopts a distorted tetrahedral coordination geometry. Further studies on the title com- plex have been performed with quantum chemistry calculation at the Lanl2dz ba...

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