On the structure of the FeF3 molecule -: art. no. 196101

被引：2
|
作者：
Hargittai, M [1 ]
机构：
[1] Eotvos Lorand Univ, Hungarian Acad Sci, Struct Chem Res Grp, H-1518 Budapest, Hungary
来源：
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 19期
基金：
匈牙利科学研究基金会;
关键词：
D O I：
10.1063/1.2121528
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：
A computational study was performed to investigate the structural framework of the FeF 3 molecule. The researchers allowed for the presence of some FeF 2 for which the vibrational amplitudes and the shrinkage for experimental temperature was calculated. The molecular geometry raises the possibility of reduction of FeF 3 upon heating. The results show that the vapors did not contain any appreciable amount of iron difluoride and reexamined thermal-average bond length of FeF 3 remains the same.
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页数：2
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