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Title: Electron Ionization Mass Spectrum of Tellurium Hexafluoride

Abstract

The first electron ionization mass spectrum of tellurium hexafluoride (TeF6) is reported. The starting material was produced by direct fluorination of Te metal or TeO2 with nitrogen trifluoride. Formation of TeF6 was confirmed through cryogenic capture of the tellurium fluorination product and analysis through Raman spectroscopy. The eight natural abundance isotopes were observed for each of the set of fragment ions: TeF5+, TeF4+ TeF3+, TeF2+, TeF1+, and Te+, Te2+. A trend in increasing abundance was observed for the even fluoride bearing ions: TeF1+ < TeF3+ < TeF5+, and a decreasing abundance was observed for the even fragment series: Te(0)+ > TeF2+ > TeF4+ > TeF6+, with the molecular ion TeF6+ not observed at all. Density functional theory based electronic structure calculations were used to calculate optimized ground state geometries of these gas phase species and their relative stabilities explain the trends in the data and the lack of observed signal for TeF6+.

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1182867
Report Number(s):
PNNL-SA-108119
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Inorganic Chemistry, 54(10):4821-4826
Additional Journal Information:
Journal Name: Inorganic Chemistry, 54(10):4821-4826
Country of Publication:
United States
Language:
English
Subject:
Tellurium Hexafluoride, Nitrogen Trifluoride, Mass Spectrometry

Citation Formats

Clark, Richard A., McNamara, Bruce K., Barinaga, Charles J., Peterson, James M., Govind, Niranjan, Andersen, Amity, Abrecht, David G., Schwantes, Jon M., and Ballou, Nathan E. Electron Ionization Mass Spectrum of Tellurium Hexafluoride. United States: N. p., 2015. Web. doi:10.1021/acs.inorgchem.5b00342.
Clark, Richard A., McNamara, Bruce K., Barinaga, Charles J., Peterson, James M., Govind, Niranjan, Andersen, Amity, Abrecht, David G., Schwantes, Jon M., & Ballou, Nathan E. Electron Ionization Mass Spectrum of Tellurium Hexafluoride. United States. doi:10.1021/acs.inorgchem.5b00342.
Clark, Richard A., McNamara, Bruce K., Barinaga, Charles J., Peterson, James M., Govind, Niranjan, Andersen, Amity, Abrecht, David G., Schwantes, Jon M., and Ballou, Nathan E. Mon . "Electron Ionization Mass Spectrum of Tellurium Hexafluoride". United States. doi:10.1021/acs.inorgchem.5b00342.
@article{osti_1182867,
title = {Electron Ionization Mass Spectrum of Tellurium Hexafluoride},
author = {Clark, Richard A. and McNamara, Bruce K. and Barinaga, Charles J. and Peterson, James M. and Govind, Niranjan and Andersen, Amity and Abrecht, David G. and Schwantes, Jon M. and Ballou, Nathan E.},
abstractNote = {The first electron ionization mass spectrum of tellurium hexafluoride (TeF6) is reported. The starting material was produced by direct fluorination of Te metal or TeO2 with nitrogen trifluoride. Formation of TeF6 was confirmed through cryogenic capture of the tellurium fluorination product and analysis through Raman spectroscopy. The eight natural abundance isotopes were observed for each of the set of fragment ions: TeF5+, TeF4+ TeF3+, TeF2+, TeF1+, and Te+, Te2+. A trend in increasing abundance was observed for the even fluoride bearing ions: TeF1+ < TeF3+ < TeF5+, and a decreasing abundance was observed for the even fragment series: Te(0)+ > TeF2+ > TeF4+ > TeF6+, with the molecular ion TeF6+ not observed at all. Density functional theory based electronic structure calculations were used to calculate optimized ground state geometries of these gas phase species and their relative stabilities explain the trends in the data and the lack of observed signal for TeF6+.},
doi = {10.1021/acs.inorgchem.5b00342},
journal = {Inorganic Chemistry, 54(10):4821-4826},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {5}
}