Krypton difluoride

Formula: F₂Kr
Molecular weight: 121.795
CAS Registry Number: 13773-81-4
Information on this page:
Other data available:
- Gas phase ion energetics data
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Vibrational and/or electronic energy levels

Data compiled as indicated in comments:
J - Marilyn E. Jacox
Shim - Takehiko Shimanouchi

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_x	gas	210	320	Makeev, Sinyanskii, et al., 1975

State: X

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


Σ_g⁺	1	Sym. stretch	449		gas	Ra	Claassen, Goodman, et al., 1965
	1	Sym. stretch	452		Kr	Ra	Howard and Andrews, 1974
Π_u	2	Bend	235.05		gas	IR	Claassen, Goodman, et al., 1965 Burger, Ma, et al., 1994
	2	Bend	236	m	Ar	IR	Turner and Pimentel, 1963
Σ_u⁺	3	Asym. stretch	592.52		gas	IR	Claassen, Goodman, et al., 1965 Murchison, Reichman, et al., 1968 Burger, Kuna, et al., 1994
	3	Asym. stretch	580	s	Ar	IR	Turner and Pimentel, 1963

Additional references: Jacox, 1994, page 120; Jacox, 1998, page 209

Notes

Medium

Strong

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

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Makeev, Sinyanskii, et al., 1975
Makeev, G.N.; Sinyanskii, V.F.; Smirnov, B.M., Dokl. Akad. Nauk SSSR, 1975, 222, 151. [all data]

Claassen, Goodman, et al., 1965
Claassen, H.H.; Goodman, G.L.; Malm, J.G.; Schreiner, F., Infrared and Raman Spectra of Krypton Difluoride, J. Chem. Phys., 1965, 42, 4, 1229, https://doi.org/10.1063/1.1696102 . [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]

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]

Turner and Pimentel, 1963
Turner, J.J.; Pimentel, G.C., Krypton Fluoride: Preparation by the Matrix Isolation Technique, Science, 1963, 140, 3570, 974, https://doi.org/10.1126/science.140.3570.974-a . [all data]

Murchison, Reichman, et al., 1968
Murchison, C.; Reichman, S.; Anderson, D.; Overend, J.; Schreiner, F., Structure of krypton difluoride, J. Am. Chem. Soc., 1968, 90, 21, 5690, https://doi.org/10.1021/ja01023a007 . [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]

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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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