Theoretical investigation of triple bonding between transition metal and main group elements in η5-C5H5(CO)2MER (M = Cr, Mo, W;: E = Si, Ge, Sn, Pb; R = terphenyl groups)

被引：0

作者：

Takagi, N ^{[1
]}

Yamazaki, K ^{[1
]}

Nagase, S ^{[1
]}

机构：

[1] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 4448585, Japan

来源：

BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2003年 / 24卷 / 06期

关键词：

triple bonds; group 6 transition metals; group; 14; elements; density functional calculations;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

To extend the knowledge of triple bonding between group 6 transition metal and heavier group 14 elements, the structural and bonding aspects of (eta(5)-C5H5)(CO)(2)MdropER (M = Cr, Mo, W; E = Si, Ge, Sri, Pb) are investigated by hybrid density functional calculations at the B3PW91 level. Substituent effects are also investigated with R = H, Me, SiH3, Ph, C6H3-2,6-Ph-2, C6H3-2,6-(C6H2-2,4,6-Me-3)(2), and C6H3-2,6-(C6H2-2,4,6-iPr(3))(2).

引用

页码：832 / 836

页数：5

共 50 条

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