On the structure of the FeF 3 molecule

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number196101
JournalThe Journal of Chemical Physics
Volume123
Issue number19
DOIs
Publication statusPublished - Nov 15 2005

Fingerprint

difluorides
Bond length
shrinkage
Iron
Vapors
vapors
Heating
iron
Molecules
heating
Geometry
geometry
molecules
Temperature
temperature
Hot Temperature

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

On the structure of the FeF 3 molecule. / Hargittai, M.

In: The Journal of Chemical Physics, Vol. 123, No. 19, 196101, 15.11.2005.

Research output: Contribution to journalArticle

@article{f22964c6e5a941e7ae21864e6bcd4d17,
title = "On the structure of the FeF 3 molecule",
abstract = "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.",
author = "M. Hargittai",
year = "2005",
month = "11",
day = "15",
doi = "10.1063/1.2121528",
language = "English",
volume = "123",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "19",

}

TY - JOUR

T1 - On the structure of the FeF 3 molecule

AU - Hargittai, M.

PY - 2005/11/15

Y1 - 2005/11/15

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=27744559879&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=27744559879&partnerID=8YFLogxK

U2 - 10.1063/1.2121528

DO - 10.1063/1.2121528

M3 - Article

VL - 123

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 19

M1 - 196101

ER -