Xenon monofluoride

Formula: FXe
Molecular weight: 150.291
IUPAC Standard InChI: InChI=1S/FXe/c1-2
IUPAC Standard InChIKey: VJVUOJVKEWVFBF-UHFFFAOYSA-N
CAS Registry Number: 16757-14-5
Chemical structure:
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through November, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ⁽¹³²⁾Xe¹⁹F
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
D (²Π_1/2)	38057	351 H	2.₁								D ↔ X 1 V	38118 H
D (²Π_1/2)	↳Kuznetsova, Kuzyakov, et al., 1964; Brau and Ewing, 1975; Velazco, Kolts, et al., 1976; missing citation
B (²Π_1/2)	28826	(308.6) (Z)	1.52								B ↔ X 2 3 V	28866
B (²Π_1/2)	↳Kuznetsova, Kuzyakov, et al., 1964; missing citation; Brau and Ewing, 1975; Golde, 1975; Tellinghuisen, Tisone, et al., 1976; Velazco, Kolts, et al., 1976
C (²Π_3/2)	(25550)	(370) 4									C → A	(18600)
C (²Π_3/2)	↳Ault and Andrews, 1976
A (²Π_3/2)	5		4								C ← X	(25620)
A (²Π_3/2)	↳Ault and Andrews, 1976
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X (²Σ)	0	(234.2) 6 (Z)	12.0 7
X (²Σ)	↳Morton and Falconer, 1963; Eachus and Symons, 1971

Notes

Observed in emission in the reaction of metastable rare gas atoms with fluorine containing molecules Velazco, Kolts, et al., 1976, Velazco, Kolts, et al., 1977 and in electron-beam excited mixtures of Ar+Xe+F₂ at high total pressure Brau and Ewing, 1975. Asorption in inert gas matrices at similar wavelengths Ault and Andrews, 1976. Laser-excited emission spectra in solid Ne and Ar Goodman and Brus, 1976; lifetimes of 12.₅ and 11.₅ ns, respectively, have been measured.

Lifetime τ ~ 18.8 ns Burnham and Harris, 1977; Goodman and Brus, 1976 measure τ= ~ 6 ns Goodman and Brus, 1976 in solid Ar.

Observed in emission at low pressure in the reaction of metastable (³P₂) Xe atoms with F₂, NOF, N₂F₄, CF₃OF [flowing afterglow Velazco and Setser, 1975, Golde, 1975] and at high pressure (of the order XeF of 1 atm) on electron bombardment of mixtures of Ar, Xe, and F₂ or NF₃ Ault, Bradford, et al., 1975, Brau and Ewing, 1975, Tellinghuisen, Tisone, et al., 1976; two bands (0-3 and 1-4 according to the new v" numbering) at 3532 and 3511 Å show strong laser action Ault, Bradford, et al., 1975, Brau and Ewing, 1975, 2, Tellinghuisen, Tisone, et al., 1976. Also observed in fluorescence in the photolysis of XeF₂ Brashears, Setser, et al., 1977. In emission and absorption in inert gas matrices Ault and Andrews, 1976, Goodman and Brus, 1976.

Tentative interpretation Ault and Andrews, 1976 of observations in solid argon.

Unstable

The v" numbering in Tellinghuisen, Tisone, et al., 1976 has been changed in a "note added in proof". See also Velazco, Kolts, et al., 1977. Emission spectra in a neon matrix Goodman and Brus, 1976 give ω"_e = 247 Goodman and Brus, 1976, ω"_ex"_e = 10.2 Goodman and Brus, 1976.

ESR sp. 10

From Tellinghuisen, Tisone, et al., 1976 after correction for change in the v numbering of the ground state. Extensive ab initio calculations Liskow, Schaefer, et al., 1973 suggested an essentially repulsive potential for X ²Σ; much better agreement with the spectroscopic result is obtained Krauss and Liu, 1976 if, in addition, the contribution to binding from the dispersion interaction is taken into account.

D₀⁰(XeF) + I.P.(Xe) - D₀⁰(XeF⁺).

In γ-irradiated solid XeF₄ and XeF₂ Morton and Falconer, 1963, Eachus and Symons, 1971.

References

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Kuznetsova, Kuzyakov, et al., 1964
Kuznetsova, L.A.; Kuzyakov, Yu.Ya.; Shpanskii, V.A.; Khutoretskii, V.M., Emission spectra of XeF and XeF₂ molecules, Vestn. Mosk. Univ., 1964, 19, 19-21. [all data]

Brau and Ewing, 1975
Brau, C.A.; Ewing, J.J., Emission spectra of XeBr, XeCl, XeF, and KrF, J. Chem. Phys., 1975, 63, 4640. [all data]

Velazco, Kolts, et al., 1976
Velazco, J.E.; Kolts, J.H.; Setser, D.W., Quenching rate constants for metastable argon, krypton, and xenon atoms by fluorine containing molecules and branching for XeF and KrF formation, J. Chem. Phys., 1976, 65, 3468. [all data]

Golde, 1975
Golde, M.F., Interpretation of the oscillatory spectra of the inert-gas halides, J. Mol. Spectrosc., 1975, 58, 261. [all data]

Tellinghuisen, Tisone, et al., 1976
Tellinghuisen, J.; Tisone, G.C.; Hoffman, J.M.; Hays, A.K., Analysis of spontaneous and laser emission from XeF, J. Chem. Phys., 1976, 64, 4796. [all data]

Ault and Andrews, 1976
Ault, B.S.; Andrews, L., Absorption and emission spectra of argon matrix-isolated XeF and KrF, J. Chem. Phys., 1976, 64, 3075. [all data]

Morton and Falconer, 1963
Morton, J.R.; Falconer, W.E., Electron spin resonance spectrum of XeF in γ-irradiated xenon tetrafluoride, J. Chem. Phys., 1963, 39, 427. [all data]

Eachus and Symons, 1971
Eachus, R.S.; Symons, M.C.R., Unstable intermediates. Part LXXXIV. E.s.r. study of the radical XeF in γ-irradiated XeF₂, J. Chem. Soc. A, 1971, 304. [all data]

Velazco, Kolts, et al., 1977
Velazco, J.E.; Kolts, J.H.; Setser, D.W.; Coxon, J.A., Excitation of XeF* by reactions of XeF₂ with Ar(³P_0,2), Kr(³P₂) and Xe(³P₂), Chem. Phys. Lett., 1977, 46, 99. [all data]

Goodman and Brus, 1976
Goodman, J.; Brus, L.E., Ground X²Σ⁺ state potential well, and excited state dynamics of diatomic XeF in solid Ne and Ar, J. Chem. Phys., 1976, 65, 3808. [all data]

Burnham and Harris, 1977
Burnham, R.; Harris, N.W., Radiative lifetime of the C state of XeF, J. Chem. Phys., 1977, 66, 2742. [all data]

Velazco and Setser, 1975
Velazco, J.E.; Setser, D.W., Bound-free emission spectra of diatomic xenon halides, J. Chem. Phys., 1975, 62, 1990. [all data]

Ault, Bradford, et al., 1975
Ault, E.R.; Bradford, R.S., Jr.; Bhaumik, M.L., High-power xenon fluoride laser, Appl. Phys. Lett., 1975, 27, 413. [all data]

Brau and Ewing, 1975, 2
Brau, C.A.; Ewing, J.J., 354-nm laser action on XeF, Appl. Phys. Lett., 1975, 27, 435. [all data]

Brashears, Setser, et al., 1977
Brashears, H.C., Jr.; Setser, D.W.; Desmarteau, D., Vacuum-ultraviolet photolysis of XeF₂: XeF(B) fluorescence and quenching, Chem. Phys. Lett., 1977, 48, 84. [all data]

Liskow, Schaefer, et al., 1973
Liskow, D.H.; Schaefer, H.F., III; Bagus, P.S.; Liu, B., Probable nonexistence of xenon monofluoride as a chemically bound species in the gas phase, J. Am. Chem. Soc., 1973, 95, 4056. [all data]

Krauss and Liu, 1976
Krauss, M.; Liu, B., The energy curve of XeF, X²Σ⁺, Chem. Phys. Lett., 1976, 44, 257. [all data]

Notes

Go To: Top, Constants of diatomic molecules, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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