xenon difluoride
- Formula: F2Xe
- Molecular weight: 169.290
- CAS Registry Number: 13709-36-9
- Information on this page:
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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 |
---|---|---|---|---|---|
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 (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.8 | 568. | House, 1983 | Based on data from 553. to 663. K.; AC |
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
+ F2Xe = F3Xe-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 138.43 | kcal/mol | N/A | Krouse, Hao, et al., 2007 | gas phase |
Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to F2Xe+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.33 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.35 ± 0.01 | PI | Berkowitz, Chupka, et al., 1971 | LLK |
12.35 ± 0.01 | PE | Brundle, Robin, et al., 1970 | RDSH |
12.33 ± 0.02 | PE | Brehm, Menzinger, et al., 1970 | RDSH |
12.28 | PI | Morrison, Nicholson, et al., 1968 | RDSH |
12.4 | S | Nielsen and Schwarz, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
XeF+ | 12.90 | F | PI | Berkowitz, Chupka, et al., 1971, 2 | LLK |
XeF+ | 12.86 | F | PI | Morrison, Nicholson, et al., 1968 | RDSH |
Xe+ | 11.481 | F+F-? | PI | Berkowitz, Chupka, et al., 1971, 2 | LLK |
Xe+ | ~15.3 | 2F | PI | Berkowitz, Chupka, et al., 1971, 2 | LLK |
Xe+ | 12.0 ± 0.1 | F+F-? | EI | Svec and Flesch, 1963 | RDSH |
Ion clustering 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+ F2Xe = F3Xe-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 138.43 | kcal/mol | N/A | Krouse, Hao, et al., 2007 | gas phase |
Vibrational and/or electronic energy levels
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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: 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, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, NIST Free Links, NIST Subscription Links, 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]
Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.; Spohr, R.,
Photo-ionization studies of F2, HF, DF, and the xenon fluorides,
Advan. Mass Spectrom., 1971, 5, 112. [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]
Brehm, Menzinger, et al., 1970
Brehm, B.; Menzinger, M.; Zorn, C.,
The photoelectron spectrum of XeF2,
Can. J. Chem., 1970, 48, 3193. [all data]
Morrison, Nicholson, et al., 1968
Morrison, J.D.; Nicholson, A.J.C.; O'Donnell, T.A.,
Ionization and dissociation of xenon difluoride induced by photon impact,
J. Chem. Phys., 1968, 49, 959. [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]
Berkowitz, Chupka, et al., 1971, 2
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.H.; Spohr, R.,
Photoionization mass spectrometric study of XeF2, XeF4, and XeF6,
J. Phys. Chem., 1971, 75, 1461. [all data]
Svec and Flesch, 1963
Svec, H.J.; Flesch, G.D.,
Thermochemical properties of xenon difluoride and xenon tetrafluoride from massspectra,
Science, 1963, 142, 954. [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]
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
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy 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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