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xenon difluoride

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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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 87400 gas 6p1Sg-X 114 114 Nielsen and Schwarz, 1976

State:   5d 1Piu


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 86000 gas 5d1«PI»u,1/2-X 116 116 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Nielsen and Schwarz, 1976
To = 80800 gas 5d1«PI»u,3/2-X 124 124 Jortner, Wilson, et al., 1963
Wilson, Jortner, et al., 1963
Nielsen and Schwarz, 1976

State:   6s 1Piu


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 73870 gas 6s1«PI»u,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 6s1«PI»u,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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

Sigmag+ 1 Sym. stretch 484 ± 24 gas AB Nielsen and Schwarz, 1976
Piu 2 Bend 200 T gas AB Nielsen and Schwarz, 1976
Nielsen and Schwarz, 1976
Sigmag+ 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

Sigmag+ 1 Sym. stretch 500 ± 16 gas AB Nielsen and Schwarz, 1976
1 Sym. stretch 532 ± 8 gas AB Nielsen and Schwarz, 1976
Piu 2 Bend 73 ± 8 gas AB Nielsen and Schwarz, 1976

State:   X


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

Sigmag+ 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
Piu 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
Sigmau+ 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

sStrong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

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

Nielsen and Schwarz, 1976
Nielsen, U.; Schwarz, W.H.E., VUV spectra of the xenon fluorides, Chem. Phys., 1976, 13, 195. [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]

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]

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 «nu»2 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

Go To: Top, Vibrational and/or electronic energy levels, References