xenon difluoride
- Formula: F2Xe
- Molecular weight: 169.290
- CAS Registry Number: 13709-36-9
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Phase change data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
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 |
---|---|---|---|---|---|
Ttriple | 402.5 | K | N/A | Ogrin, Zemva, et al., 1972 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 631. | K | N/A | Ogrin, Zemva, et al., 1972 | Uncertainty assigned by TRC = 3. K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.5 | 568. | House, 1983 | Based on data from 553. to 663. K.; AC |
Reaction thermochemistry data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, 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: 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
+ F2Xe = F3Xe-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 579.19 | kJ/mol | N/A | Krouse, Hao, et al., 2007 | gas 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 | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 87400 | gas | 6p1Sg-X | 114 | 114 | Nielsen and Schwarz, 1976 | ||
State: 5d 1Πu
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 86000 | gas | 5d1Πu,1/2-X | 116 | 116 | Jortner, Wilson, et al., 1963 | ||
Wilson, Jortner, et al., 1963 | |||||||
Nielsen and Schwarz, 1976 | |||||||
To = 80800 | gas | 5d1Πu,3/2-X | 124 | 124 | Jortner, Wilson, et al., 1963 | ||
Wilson, Jortner, et al., 1963 | |||||||
Nielsen and Schwarz, 1976 | |||||||
State: 6s 1Πu
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 73870 | gas | 6s1Πu,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 | 6s1Πu,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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | Sym. stretch | 484 ± 24 | gas | AB | Nielsen and Schwarz, 1976 | |
Πu | 2 | Bend | 200 | T | gas | AB | Nielsen and Schwarz, 1976 Nielsen and Schwarz, 1976 |
Σg+ | 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 | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | Sym. stretch | 500 ± 16 | gas | AB | Nielsen and Schwarz, 1976 | |
1 | Sym. stretch | 532 ± 8 | gas | AB | Nielsen and Schwarz, 1976 | ||
Πu | 2 | Bend | 73 ± 8 | gas | AB | Nielsen and Schwarz, 1976 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 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 | ||
Πu | 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 | ||
Σu+ | 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
s | Strong |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy 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 ν2 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
- Symbols used in this document:
Tc Critical temperature Ttriple Triple point temperature ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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