Krypton difluoride


Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
13.06PEBrundle and Jones, 1972LLK
13.34PEBrundle and Jones, 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
FKr+~13.38FPIBerkowitz and Holloway, 1978LLK
KrF+13.71 ± 0.20FEISessa and McGee, 1969RDSH
Kr+11.517F+F(-)PIBerkowitz and Holloway, 1978LLK

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, NIST Free Links, 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:
J - Marilyn E. Jacox
Shim - Takehiko Shimanouchi

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

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

State:   X


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

Σg+ 1 Sym. stretch 449 gas Ra Claassen, Goodman, et al., 1965
1 Sym. stretch 452 Kr Ra Howard and Andrews, 1974
Πu 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
Σu+ 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

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

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Brundle and Jones, 1972
Brundle, C.R.; Jones, G.R., Electronic structure of KrF2, studied by photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 959. [all data]

Brundle and Jones, 1971
Brundle, C.R.; Jones, G.R., The molecular orbital energy levels and bonding in krypton difluoride, Chem. Commun., 1971, 1198. [all data]

Berkowitz and Holloway, 1978
Berkowitz, J.; Holloway, J.H., Photoionization mass spectrometric study of KrF2, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 2077. [all data]

Sessa and McGee, 1969
Sessa, P.A.; McGee, H.A., Jr., Mass spectrum and molecular energetics of krypton difluoride, J. Phys. Chem., 1969, 73, 2078. [all data]

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

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References