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FKr+


Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through April, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for (84)Kr19F+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 1Sigma+  (621) 1 (8.3) 1  (0.355) 1 (0.0044) 1    (1.752) 1  

Notes

1Theoretical values Liu and Schaefer, 1971; no spectroscopic data available.
2Theoretical calculations of Dunning and Hay, 1976. Te relative to the Kr(1S) + F(2P3/2) limit. For the D state a vibrational frequency of ~ 336 was observed in argon matrices Ault and Andrews, 1976.
3In the diabatic sense.
4In reactions of metastable Kr atoms with small fluorine containing molecules Velazco, Kolts, et al., 1976 and from electron-beam-excited mixtures of Ar and Kr + NF3 Murray and Powell, 1976. Also in absorption of matrix isolated KrF Ault and Andrews, 1976, 2, Ault and Andrews, 1976.
5From the analysis through trial-and-error theoretical simulations of the structured continuum observed at moderate to high pressures Tellinghuisen, Hays, et al., 1976. An earlier interpretation Golde, 1975 of the much broader peaks observed at low pressure lead to omegae ~280 cm-1 Golde, 1975. The theoretical calculations of Dunning and Hay, 1976 give omegae= 341 cm-1 Dunning and Hay, 1976. In neon and argon matrices omegae ~340 and 315, respectively Ault and Andrews, 1976.
6The B state dissociates adiabatically to Kr(3P2) + F; D'0 ~4.85 eV is very similar to the ground state dissociation energy of RbF.
7Estimated value used by Tellinghuisen, Hays, et al., 1976, in the analysis of the structured continuum. The theoretical value Dunning and Hay, 1976 is re= 2.51 Angstroms Dunning and Hay, 1976.
8In emission from electron-beam-excited mixtures of Ar and Kr + F2 at moderate to high pressures. The low-pressure spectrum observed in reactions of metastable Kr atoms with F2 or N2F4 Golde, 1975 may also contain contributions from CrarrowX. Also observed in matrix absorption Ault and Andrews, 1976, 2, Ault and Andrews, 1976.
9Observed in gamma-irradiated KrF4 at low temperature (77 K) confirming that the ground state is 2Sigma. KrF seems to be stabilized in the solid.
10From mass-spectrometric studies Berkowitz and Chupka, 1970; ab initio calculations Liu and Schaefer, 1971, yield D00 = 1.90 eV Liu and Schaefer, 1971.

References

Go To: Top, Constants of diatomic molecules, Notes

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

Liu and Schaefer, 1971
Liu, B.; Schaefer, H.F., III, Krypton monofluoride and its positive ion, J. Chem. Phys., 1971, 55, 2369. [all data]

Dunning and Hay, 1976
Dunning, T.H.; Hay, P.J., Electronic states of KrF, Appl. Phys. Lett., 1976, 28, 649. [all data]

Ault and Andrews, 1976
Ault, B.S.; Andrews, L., Absorption and emission spectra of matrix-isolated XeF, KrF, XeCl, and XeBr, J. Chem. Phys., 1976, 65, 4192. [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]

Murray and Powell, 1976
Murray, J.R.; Powell, H.T., KrCl laser oscillation at 222 nm, Appl. Phys. Lett., 1976, 29, 252. [all data]

Ault and Andrews, 1976, 2
Ault, B.S.; Andrews, L., Absorption and emission spectra of argon matrix-isolated XeF and KrF, J. Chem. Phys., 1976, 64, 3075. [all data]

Tellinghuisen, Hays, et al., 1976
Tellinghuisen, J.; Hays, A.K.; Hoffman, J.M.; Tisone, G.C., Spectroscopic studies of diatomic noble gas halides. II. Analysis of bound-free emission from XeBr, XeI, and KrF, J. Chem. Phys., 1976, 65, 4473. [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]

Berkowitz and Chupka, 1970
Berkowitz, J.; Chupka, W.A., Diatomic ions of noble gas fluorides, Chem. Phys. Lett., 1970, 7, 447. [all data]


Notes

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