Acta Chimica Sinica ›› 1993, Vol. 51 ›› Issue (2): 138-142. Previous Articles     Next Articles

Original Articles

钠卤类硅烯的结构与稳定性

冯圣玉;邓从豪   

  1. 山东大学理论化学研究室
  • 发布日期:1993-02-15

Structures and stability of silyleniods H2SiNaX(X=F, Cl)

FENG SHENGYU;DENG CONGHAO   

  • Published:1993-02-15

The structures and stability of silyleniods H2SiNaX(X=F, Cl)were predicted by ab initio calculations. the STO-3G basis set was used for full geometry optimizations.the two most stable forms are suggested to be the structrues with three-membered ring and p-comlex, analogous to the similar structures previously found for silyleniod H2SiLiCl. two species σ-complex and dthe "classical"(tetrahedral)form, are also local minima on the potential energy surface, but higher in energy and unstable.

Key words: STABILITY, SODIUM COMPOUNDS, CONFIGURATION, HALOGEN, STRUCTUREIZATION, ISOMERIC COMPOUND

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