PI-BOND STRENGTHS OF H2X = YH2 - X = GE OR SN, AND Y = C, SI, GE, OR SN

被引:92
作者
WINDUS, TL
GORDON, MS
机构
[1] N DAKOTA STATE UNIV, DEPT CHEM, FARGO, ND 58105 USA
[2] IOWA STATE UNIV SCI & TECHNOL, DEPT CHEM, AMES, IA 50011 USA
关键词
D O I
10.1021/ja00050a040
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The molecular structures and pi-bond strengths are determined using both MP2 and MCSCF + CI energies for a series of H-2X = YH2 compounds, where X = Ge or Sn and Y = C, Si, Ge, or Sn. These strengths are estimated both by evaluating the rotation barriers and by investigating the appropriate thermochemical cycles. The results show that C > Si is similar to Ge > Sn in their ability to form pi-bonds.
引用
收藏
页码:9559 / 9568
页数:10
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