WEAK ION-MOLECULE COMPLEXES OF F-(CF4)(N) AND CF3-(CF4)(N)

被引：9

作者：

HIRAOKA, K

NASU, M

FUJIMAKI, S

IGNACIO, EW

YAMABE, S

机构：

[1] MSU,ILLIGAN INST TECHNOL,DEPT CHEM,ILLIGAN CITY 9200,PHILIPPINES

[2] NARA UNIV EDUC,DEPT CHEM,NARA 630,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 245卷 / 01期

关键词：

D O I：

10.1016/0009-2614(95)00980-I

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Gas-phase thermochemical stabilities and structures of cluster ions F-(CF4)(n) and CF3-(CF4)(n) have been studied with a high-pressure mass spectrometer and ab initio calculations. The F-...CF4 bonding energy is found to be only 6.4 kcal/mol, Its geometry is of an ion-dipole complex along an S(N)2 reaction path. The high-symmetry (D-3h) CF5- species is computed to be a transition state of the S(N)2 path and not an energy minimum. The CF3-...CF4 bonding energy is only 3.6 kcal/mol with F2C-F-...CF4 coordination. The F...F exchange repulsion hinders the F...C attractions in these species. Theoretical bonding energies are in good agreement with measured ones.

引用

页码：14 / 18

页数：5

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