Formation Mechanism of NF4+ Salts and Extraordinary Enhancement of the Oxidizing Power of Fluorine by Strong Lewis Acids
- Authors:
-
- Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, Los Angeles CA 90089-1661 USA
- Department of Chemistry, The University of Alabama, Tuscaloosa AL 35487 USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1378796
- Grant/Contract Number:
- FG02-03ER15481
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Angewandte Chemie
- Additional Journal Information:
- Journal Name: Angewandte Chemie Journal Volume: 129 Journal Issue: 27; Journal ID: ISSN 0044-8249
- Publisher:
- German Chemical Society
- Country of Publication:
- Germany
- Language:
- English
Citation Formats
Christe, Karl O., Haiges, Ralf, Vasiliu, Monica, and Dixon, David A. Formation Mechanism of NF4+ Salts and Extraordinary Enhancement of the Oxidizing Power of Fluorine by Strong Lewis Acids. Germany: N. p., 2017.
Web. doi:10.1002/ange.201701784.
Christe, Karl O., Haiges, Ralf, Vasiliu, Monica, & Dixon, David A. Formation Mechanism of NF4+ Salts and Extraordinary Enhancement of the Oxidizing Power of Fluorine by Strong Lewis Acids. Germany. https://doi.org/10.1002/ange.201701784
Christe, Karl O., Haiges, Ralf, Vasiliu, Monica, and Dixon, David A. Thu .
"Formation Mechanism of NF4+ Salts and Extraordinary Enhancement of the Oxidizing Power of Fluorine by Strong Lewis Acids". Germany. https://doi.org/10.1002/ange.201701784.
@article{osti_1378796,
title = {Formation Mechanism of NF4+ Salts and Extraordinary Enhancement of the Oxidizing Power of Fluorine by Strong Lewis Acids},
author = {Christe, Karl O. and Haiges, Ralf and Vasiliu, Monica and Dixon, David A.},
abstractNote = {},
doi = {10.1002/ange.201701784},
journal = {Angewandte Chemie},
number = 27,
volume = 129,
place = {Germany},
year = {Thu May 04 00:00:00 EDT 2017},
month = {Thu May 04 00:00:00 EDT 2017}
}
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Works referenced in this record:
Complex Fluoro Cations. II. Tetrafluoronitrogen(V) Cation, NF 4 + . Synthesis and Properties of NH 4 + AsF 6 -
journal, November 1966
- Guertin, Jacques P.; Christe, Karl O.; Pavlath, Attila E.
- Inorganic Chemistry, Vol. 5, Issue 11
On the existence of pentacoordinated nitrogen
journal, March 1988
- Christe, Karl O.; Wilson, William W.; Schrobilgen, Gary J.
- Inorganic Chemistry, Vol. 27, Issue 5
Validity of first-order perturbation theory for relativistic energy corrections
journal, December 1981
- Davidson, Ernest R.; Ishikawa, Yasuyuki; Malli, Gulzari L.
- Chemical Physics Letters, Vol. 84, Issue 2
Estimated Stability of Perfluoroammonium Ion and Its Salts
book, January 1966
- Wilson, J. Norton
- Advanced Propellant Chemistry
Coordinatively saturated fluoro cations. Oxidative fluorination reactions with fluorokrypton(1+) salts and platinum hexafluoride (PtF6)
journal, July 1984
- Christe, Karl O.; Wilson, William W.; Wilson, Richard D.
- Inorganic Chemistry, Vol. 23, Issue 14
Volume-Based Thermodynamics: A Prescription for Its Application and Usage in Approximation and Prediction of Thermodynamic Data
journal, April 2011
- Glasser, Leslie; Jenkins, H. Donald Brooke
- Journal of Chemical & Engineering Data, Vol. 56, Issue 4
Coupled cluster theory for high spin, open shell reference wave functions
journal, October 1993
- Knowles, Peter J.; Hampel, Claudia; Werner, Hans‐Joachim
- The Journal of Chemical Physics, Vol. 99, Issue 7
The tetrafluoronitronium(V) cation, NF4+
journal, March 1966
- Christe, Karl O.; Guertin, Jacques P.; Pavlath, Attila E.
- Inorganic and Nuclear Chemistry Letters, Vol. 2, Issue 3
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
journal, February 1982
- Purvis, George D.; Bartlett, Rodney J.
- The Journal of Chemical Physics, Vol. 76, Issue 4
Characterization of Homonuclear Diatomic Ions by Semiempirical Morse Potential Energy Curves. 1. The Halogen Anions
journal, January 1996
- Dojahn, J. G.; Chen, E. C. M.; Wentworth, W. E.
- The Journal of Physical Chemistry, Vol. 100, Issue 23
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H 2 →H 2 +H reaction
journal, May 1994
- Peterson, Kirk A.; Woon, David E.; Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 100, Issue 10
Correction to “Heats of Formation of MH x Cl y (M = Si, P, As, Sb) Compounds and Main Group Fluorides from High Level Electronic Structure Calculations”
journal, July 2014
- Vasiliu, Monica; Grant, Daniel J.; Feller, David
- The Journal of Physical Chemistry A, Vol. 118, Issue 29
Crystal structure of tetrafluoroammonium salts
journal, July 1988
- Christe, Karl O.; Lind, M. David; Thorup, Niels
- Inorganic Chemistry, Vol. 27, Issue 14
F + and F − Affinities of Simple N x F y and O x F y Compounds
journal, March 2011
- Grant, Daniel J.; Wang, Tsang-Hsiu; Vasiliu, Monica
- Inorganic Chemistry, Vol. 50, Issue 5
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
journal, January 1989
- Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 90, Issue 2
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992
- Kendall, Rick A.; Dunning, Thom H.; Harrison, Robert J.
- The Journal of Chemical Physics, Vol. 96, Issue 9
A quantitative scale for the oxidizing strength of oxidative fluorinators
journal, April 1992
- Christe, Karl O.; Dixon, David A.
- Journal of the American Chemical Society, Vol. 114, Issue 8
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
journal, January 1993
- Woon, David E.; Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 98, Issue 2
New synthesis of tetrafluoroammonium(+) salts and its mechanistic interpretation involving a new and exceptionally powerful oxidizing species
journal, October 1973
- Christie, Karl O.; Wilson, Richard D.; Axworthy, Arthur E.
- Inorganic Chemistry, Vol. 12, Issue 10
Electron spin resonance evidence for the formation of the trifluoronitrogen(1+) radical cation as an intermediate in the syntheses of tetrafluoronitrogen(1+) ion salts by low-temperature ultraviolet photolysis
journal, March 1978
- Christe, Karl O.; Goldberg, Ira B.
- Inorganic Chemistry, Vol. 17, Issue 3
Further benchmarks of a composite, convergent, statistically calibrated coupled-cluster-based approach for thermochemical and spectroscopic studies
journal, April 2012
- Feller, David; Peterson, Kirk A.; Dixon, David A.
- Molecular Physics, Vol. 110, Issue 19-20
NF 5 Viable or Not?
journal, November 1998
- Bettinger, Holger F.; Schleyer, Paul v. R.; Schaefer, Henry F.
- Journal of the American Chemical Society, Vol. 120, Issue 44
The synthesis of the perfluoroammonium cation, NF4+
journal, June 1967
- Tolberg, W. E.; Rewick, R. T.; Stringham, Roger S.
- Inorganic Chemistry, Vol. 6, Issue 6
Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
journal, September 1994
- Deegan, Miles J. O.; Knowles, Peter J.
- Chemical Physics Letters, Vol. 227, Issue 3
An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen
journal, June 1988
- Rittby, Magnus; Bartlett, Rodney J.
- The Journal of Physical Chemistry, Vol. 92, Issue 11
Fluoride ion affinities of germanium tetrafluoride and boron trifluoride from thermodynamic and structural data for (SF3)2GeF6, ClO2GeF5, and ClO2BF4
journal, September 1984
- Mallouk, Thomas E.; Rosenthal, Guy L.; Mueller, Gerhard
- Inorganic Chemistry, Vol. 23, Issue 20
Low-temperature ultraviolet photolysis and its application to the synthesis of novel and known tetrafluoronitrogen(1+) salts
journal, June 1976
- Christe, Karl O.; Schack, Carl J.; Wilson, Richard D.
- Inorganic Chemistry, Vol. 15, Issue 6
Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges
journal, January 2012
- Peterson, Kirk A.; Feller, David; Dixon, David A.
- Theoretical Chemistry Accounts, Vol. 131, Issue 1
The synthesis of the perfluoro ammonium cation, NF4+
journal, March 1966
- Tolberg, W. E.; Rewick, R. T.; Stringham, R. S.
- Inorganic and Nuclear Chemistry Letters, Vol. 2, Issue 3
Ionization and dissociation energies of the hydrides and fluorides of the first row elements in relation to their electronic structures
journal, January 1963
- Price, W. C.; Passmore, T. R.; Roessler, D. M.
- Discussions of the Faraday Society, Vol. 35
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
journal, December 2002
- Peterson, Kirk A.; Dunning, Thom H.
- The Journal of Chemical Physics, Vol. 117, Issue 23
Trifluoronitrogen(1+) radical cation. Electron spin resonance studies of radiation effects in tetrafluoronitrogen(1+) salts
journal, May 1975
- Mishra, S. P.; Symons, M. C. R.; Christe, K. O.
- Inorganic Chemistry, Vol. 14, Issue 5
Ab initio SCF study of hyperfine couplings, geometries, and inversion barriers in the isoelectronic radicals NF3+, CF3, and BF3-
journal, June 1983
- Benzel, M. A.; Maurice, A. M.; Belford, R. L.
- Journal of the American Chemical Society, Vol. 105, Issue 12
Third Row Transition Metal Hexafluorides, Extraordinary Oxidizers, and Lewis Acids: Electron Affinities, Fluoride Affinities, and Heats of Formation of WF 6 , ReF 6 , OsF 6 , IrF 6 , PtF 6 , and AuF 6 †
journal, February 2010
- Craciun, Raluca; Picone, Désireé; Long, Rebecca T.
- Inorganic Chemistry, Vol. 49, Issue 3
Heats of Formation of MH x Cl y (M = Si, P, As, Sb) Compounds and Main Group Fluorides from High Level Electronic Structure Calculations
journal, March 2012
- Vasiliu, Monica; Grant, Daniel J.; Feller, David
- The Journal of Physical Chemistry A, Vol. 116, Issue 14
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
journal, January 1997
- Curtiss, Larry A.; Raghavachari, Krishnan; Redfern, Paul C.
- The Journal of Chemical Physics, Vol. 106, Issue 3
Thermodynamic Properties of Arsenic Compounds and the Heat of Formation of the As Atom from High Level Electronic Structure Calculations
journal, December 2011
- Feller, David; Vasiliu, Monica; Grant, Daniel J.
- The Journal of Physical Chemistry A, Vol. 115, Issue 51
Estimation of Enthalpy Data for Reactions Involving Gas Phase Ions Utilizing Lattice Potential Energies: Fluoride Ion Affinities (FIA) and pF - Values of m SbF 5 (l) and m SbF 5 (g) ( m = 1, 2, 3), AsF 5 (g), AsF 5 ·SO 2 (c). Standard Enthalpies of Formation: Δ f H °(Sb m F 5 m +1 - ,g) ( m = 1, 2, 3), Δ f H °(AsF 6 - ,g), and Δ f H °(NF 4 + ,g) †
journal, May 2003
- Jenkins, H. Donald Brooke; Roobottom, H. K.; Passmore, Jack
- Inorganic Chemistry, Vol. 42, Issue 9
Electron spin resonance spectra of the 14NF3+.cntdot. and 15NF3+.cntdot. radical cations
journal, November 1978
- Goldberg, I. B.; Crowe, H. R.; Christe, K. O.
- Inorganic Chemistry, Vol. 17, Issue 11
Formation and decomposition mechanism of tetrafluoronitrogen (1+) salts
journal, September 1979
- Christe, Karl O.; Wilson, Richard D.; Goldberg, Ira B.
- Inorganic Chemistry, Vol. 18, Issue 9
Heats of Formation of Beryllium, Boron, Aluminum, and Silicon Re-examined by Means of W4 Theory
journal, July 2007
- Karton, Amir; Martin, Jan M. L.
- The Journal of Physical Chemistry A, Vol. 111, Issue 26
Thermochemistry of NF4+ salts
journal, January 1982
- Bougon, R.; Bui Huy, T.; Burgess, J.
- Journal of Fluorine Chemistry, Vol. 19, Issue 3-6
Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
journal, June 1993
- Watts, John D.; Gauss, Jürgen; Bartlett, Rodney J.
- The Journal of Chemical Physics, Vol. 98, Issue 11
Tetrafluoroammonium Salts
journal, May 1985
- Nikitin, Igor V.; Rosolovskii, V. Ya
- Russian Chemical Reviews, Vol. 54, Issue 5
Preparation and properties of perfluoroammonium tetrafluoroborate, NF4+BF4-, and possible synthesis of nitrogen pentafluoride
journal, July 1972
- Goetschel, C. T.; Campanile, V. A.; Curtis, R. M.
- Inorganic Chemistry, Vol. 11, Issue 7
Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
journal, June 2001
- Dunning, Thom H.; Peterson, Kirk A.; Wilson, Angela K.
- The Journal of Chemical Physics, Vol. 114, Issue 21
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
journal, April 1999
- Wilson, Angela K.; Woon, David E.; Peterson, Kirk A.
- The Journal of Chemical Physics, Vol. 110, Issue 16
Are the NF 4 + Cations in NF 4 BF 4 Really Nontetrahedral?
journal, September 2006
- Haiges, Ralf; Gerken, Michael; Iuga, Adriana
- Inorganic Chemistry, Vol. 45, Issue 19
A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures
journal, November 2008
- Feller, David; Peterson, Kirk A.; Dixon, David A.
- The Journal of Chemical Physics, Vol. 129, Issue 20