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xenon difluoride

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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Ttriple402.5KN/AOgrin, Zemva, et al., 1972Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc631.KN/AOgrin, Zemva, et al., 1972Uncertainty assigned by TRC = 3. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
53.5568.House, 1983Based on data from 553. - 663. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Fluorine anion + F2Xe = F3Xe-

By formula: F- + F2Xe = F3Xe-

Quantity Value Units Method Reference Comment
Deltar579.19kJ/molN/AKrouse, Hao, et al., 2007gas phase

Vibrational and/or electronic energy levels

Go To: Top, Phase change data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   6p 1Sg


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 87400 gas 6p1Sg-X 114 114 Nielsen and Schwarz, 1976

State:   5d 1Piu


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 86000 gas 5d1«PI»u,1/2-X 116 116 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Nielsen and Schwarz, 1976
To = 80800 gas 5d1«PI»u,3/2-X 124 124 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Nielsen and Schwarz, 1976

State:   6s 1Piu


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 73870 gas 6s1«PI»u,1/2-X 135 135 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Brundle, Robin, et al., 1970
Nielsen and Schwarz, 1976
To = 69300 gas 6s1«PI»u,3/2-X 144 144 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Brundle, Robin, et al., 1970
Nielsen and Schwarz, 1976

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 63300 gas B-X 158 158 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Nielsen and Schwarz, 1976

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 43500 gas A-X 230 230 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Pysh, Jortner, et al., 1964
Nielsen and Schwarz, 1976

State:   5d


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 Sym. stretch 484 ± 24 gas AB Nielsen and Schwarz, 1976
Piu 2 Bend 200 T gas AB Nielsen and Schwarz, 1976
Nielsen and Schwarz, 1976
Sigmag+ 1 Sym. stretch 524 ± 8 gas AB Nielsen and Schwarz, 1976

State:   6s


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 Sym. stretch 500 ± 16 gas AB Nielsen and Schwarz, 1976
1 Sym. stretch 532 ± 8 gas AB Nielsen and Schwarz, 1976
Piu 2 Bend 73 ± 8 gas AB Nielsen and Schwarz, 1976

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 Sym. stretch 516.5 ± 0.5 gas Ra Tsao, Cobb, et al., 1971
Brassington and Edwards, 1987
1 Sym. stretch 512 Ar Ra Howard and Andrews, 1974
1 Sym. stretch 512 Xe Ra Howard and Andrews, 1974
Piu 2 Bend 213.08 s gas IR Agron, Begun, et al., 1963
Burger and Ma, 1993
Burger, Ma, et al., 1994
2 Bend 215 Ar IR Ault, Andrews, et al., 1977
Sigmau+ 3 Asym. stretch 560.10 s gas IR Smith, 1963
Agron, Begun, et al., 1963
Reichman and Schreiner, 1969
Burger and Ma, 1993
3 Asym. stretch 547 Ar IR Turner and Pimentel, 963

Additional references: Jacox, 1994, page 120; Jacox, 1998, page 209; Burger, Kuna, et al., 1994

Notes

sStrong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ogrin, Zemva, et al., 1972
Ogrin, T.; Zemva, B.; Bohinc, M.; slivnik, J., Critical constants and liquid densities of xenon difluoride and xenon tetrafluoride, J. Chem. Eng. Data, 1972, 17, 418-9. [all data]

House, 1983
House, J.E., Cohesion energies and solubility parameters for xenon difluoride and xenon tetrafluoride, Journal of Fluorine Chemistry, 1983, 22, 3, 299-303, https://doi.org/10.1016/S0022-1139(00)84959-3 . [all data]

Krouse, Hao, et al., 2007
Krouse, I.H.; Hao, C.T.; Check, C.E.; Lobring, K.C.; Sunderlin, L.S.; Wenthold, P.G., Bonding and electronic structure of XeF3-, J. Am. Chem. Soc., 2007, 129, 4, 846-852, https://doi.org/10.1021/ja065038b . [all data]

Nielsen and Schwarz, 1976
Nielsen, U.; Schwarz, W.H.E., VUV spectra of the xenon fluorides, Chem. Phys., 1976, 13, 195. [all data]

Jortner, Wilson, et al., 1963
Jortner, J.; Wilson, E.G.; Rice, W.A., Noble- Gas Compounds, H. H. Hyman, ed(s)., University of Chicago Press, Chicago, Ill., 1963, 358. [all data]

Wilson, Jortner, et al., 1963
Wilson, E.G.; Jortner, J.; Rice, S.A., A far-ultraviolet spectroscopic study of xenon difluoride, J. Am. Chem. Soc., 1963, 85, 813. [all data]

Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Jones, G.R., High resolution He I and He II photoelectron spectra of xenon difluoride, J. Chem. Phys., 1970, 52, 3383. [all data]

Pysh, Jortner, et al., 1964
Pysh, E.S.; Jortner, J.; Rice, S.A., Forbidden Electronic Transitions in XeF2 and XeF4, J. Chem. Phys., 1964, 40, 7, 2018, https://doi.org/10.1063/1.1725437 . [all data]

Tsao, Cobb, et al., 1971
Tsao, P.; Cobb, C.C.; Claassen, H.H., Raman Spectra for XeF2, XeF4, and XeOF4 Vapors, and Force Constant Calculations, J. Chem. Phys., 1971, 54, 12, 5247, https://doi.org/10.1063/1.1674821 . [all data]

Brassington and Edwards, 1987
Brassington, N.J.; Edwards, H.G.M., Vibrational spectrum and force constants of xenon (II) fluoride, J. Mol. Struct., 1987, 162, 1-2, 69, https://doi.org/10.1016/0022-2860(87)85023-8 . [all data]

Howard and Andrews, 1974
Howard, W.F., Jr.; Andrews, L., Synthesis of noble-gas dihalides by laser photolysis of matrix-isolated halogens, J. Am. Chem. Soc., 1974, 96, 26, 7864, https://doi.org/10.1021/ja00833a004 . [all data]

Agron, Begun, et al., 1963
Agron, P.A.; Begun, G.M.; Levy, H.A.; Mason, A.A.; Jones, C.G.; Smith, D.F., Xenon Difluoride and the Nature of the Xenon-Fluorine Bond, Science, 1963, 139, 3557, 842, https://doi.org/10.1126/science.139.3557.842 . [all data]

Burger and Ma, 1993
Burger, N.; Ma, S., The Ground State and Equilibrium Structure of XeF2, J. Mol. Spectrosc., 1993, 157, 2, 536, https://doi.org/10.1006/jmsp.1993.1043 . [all data]

Burger, Ma, et al., 1994
Burger, H.; Ma, S.; Winnewisser, B.P., High-Resolution FTIR Investigation of the «nu»2 Band of KrF2 and XeF2, J. Mol. Spectrosc., 1994, 164, 1, 84, https://doi.org/10.1006/jmsp.1994.1058 . [all data]

Ault, Andrews, et al., 1977
Ault, B.S.; Andrews, L.; Green, D.W.; Reedy, G.T., A search for the infrared fundamental of matrix-isolated XeF, J. Chem. Phys., 1977, 66, 7, 2786, https://doi.org/10.1063/1.434349 . [all data]

Smith, 1963
Smith, D.F., Xenon Difluoride, J. Chem. Phys., 1963, 38, 1, 270, https://doi.org/10.1063/1.1733476 . [all data]

Reichman and Schreiner, 1969
Reichman, S.; Schreiner, F., Gas-Phase Structure of XeF2, J. Chem. Phys., 1969, 51, 6, 2355, https://doi.org/10.1063/1.1672351 . [all data]

Turner and Pimentel, 963
Turner, J.J.; Pimentel, G.C., Noble-Gas Compounds, H. H. Hyman, ed(s)., University of Chicago Press, Chicago, Ill., 963, 101. [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Burger, Kuna, et al., 1994
Burger, H.; Kuna, R.; Ma, S.; Breidung, J.; Thiel, W., The vibrational spectra of krypton and xenon difluoride: High-resolution infrared studies and ab initio calculations, J. Chem. Phys., 1994, 101, 1, 1, https://doi.org/10.1063/1.468170 . [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References