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Ge6H6几何构型的稳定性和电子结构的研究（英文）
The geometric and electronic structures of Ge6H6 isomers
【摘要】 应用GAUSSIAN 92从头算方法研究了Ge6H6 几何构型的稳定性和电子结构 ,主要研究了两种最可能的几何构型 ,发现最稳定的构型是平面六锗苯 .平面六锗苯比棱柱六锗苯的能量低 2 0 .9kJ/mol,我们也研究了平面六锗苯和棱柱六锗苯的电子结构
【Abstract】 The geometric and electronic structures of the Ge 6H 6 cluster are studied by using the GAUSSIAN 92 suites of ab initio programs. Two most possible isomeric structures are examined. The most stable structure is found to be a planar hexagermabenzene. The hexagermaprismane lies only about 20.9 kJ/mol higher in energy than the planar hexagermabenzene. We also present the electronic structures of hexagermabenzene and hexagermaprismane.
- 【文献出处】 苏州大学学报(自然科学) ,JOURNAL OF SUZHOU UNIVERSITY , 编辑部邮箱 ,2000年02期
- 【分类号】O641
- 【下载频次】23