化学学报 ›› 1997, Vol. 55 ›› Issue (12): 1172-1178. 上一篇    下一篇

研究论文

用一个新的拓扑指数F~1研究AB~n型分子的性质

杨锋;颜肖慈;周培疆;周光明;罗明道;屈松生   

  1. 武汉大学化学系
  • 出版日期:1997-12-15 发布日期:1997-12-15

Studies on the properties of AB~n molecules with a new topological index

YANG FENG;YAN XIAOCI;ZHOU PEIJIANG;ZHOU GUANGMING;LUO MINGDAO;QU SONGSHENG   

  • Online:1997-12-15 Published:1997-12-15

本文定义了一个新的拓扑指数F~1,并用F~1研究了AB~n型分子的标准生成焓、晶格焓、反应截面等性质。结果表明,F~1能有效地处理含氟的同构型无机分子体系和非同构型的无机体系。

关键词: 卤化物, 碘化物, 氟化物, 生成焓, 拓扑, 截面分析, 多原子分子, 晶格常数, 拓扑指数

A new topological index F~1 was defined in this paper. The F~1 of AB~n molecules were calculated. It is found that F~1 and the standard molar enthalpies of formation, lattice enthalpies of AB~n molecules have good linear relationship, respectively. The relations between F~1 and cross sections of AB molecules (A=Na, K, Rb, Cs, B=F, Cl, Br, I) were discussed.

Key words: HALIDE, IODIDE, FLUORIDE, ENTHALPY OF FORMATION, TOPOLOGY, SECTION ANALYSIS, POLYATOMIC MOLECULE, LATTICE CONTRANTS

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