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CuCl2


Vibrational and/or electronic energy levels

Go To: Top, References, Notes

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:   ?


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

Tx = 44800 T gas DeKock and Gruen, 1966

State:   2Pig


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

Txx = 19900 ± 1000 gas Wang, Wang, et al., 2001

State:   2Su+


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

Txx = 17800 ± 900 gas Wang, Wang, et al., 2001

State:   F


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

To = 15740.78 gas Barnes and Brown, 2007

State:   E


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

To = 15546.29 gas E-X 626 659 Hougen, Leroi, et al., 1961
DeKock and Gruen, 1966
Ross, Bacis, et al., 1993
Barnes, Carter, et al., 1993
Crozet, Coste, et al., 1993
Crozet, Ross, et al., 1995
Bouvier, Bosch, et al., 1996
Ross, Crozet, et al., 1996
Bosch, Crozet, et al., 2000
Wang, Wang, et al., 2001
Barnes and Brown, 2007
To = 15416.0 Ne Lorenz, Caspary, et al., 1997
To = 14920.5 Ar DeKock and Gruen, 1968
Lorenz, Caspary, et al., 1997


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

Sigmag+ 1 Sym. stretch 335.88 ± 0.04 gas LF Barnes and Brown, 2007
Piu 2 Bend 112.42 ± 0.04 gas LF Barnes and Brown, 2007
Sigmau+ 3 Asym. stretch 482.17 ± 0.04 gas LF Barnes and Brown, 2007

State:   2Dg,3/2


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

Txx = 8700 ± 900 gas Wang, Wang, et al., 2001
To = 9567.5 Ne Lorenz, Caspary, et al., 1997
To = 9427 T Ar Lorenz, Caspary, et al., 1997


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

Sigmag+ 1 Sym. stretch 364.5 Ne LF Lorenz, Caspary, et al., 1997
1 Sym. stretch 354.6 T Ar LF Lorenz, Caspary, et al., 1997
Piu 2 Bend 80.2 Ne LF Lorenz, Caspary, et al., 1997

State:   2Dg,5/2


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

To = 6877 U T gas 760 1460 Hougen, Leroi, et al., 1961
DeKock and Gruen, 1966
Tokuda, Fujii, et al., 1990
Bouvier, Bacis, et al., 1991
Wang, Wang, et al., 2001
To = 7893.5 Ne Lorenz, Caspary, et al., 1997
To = 7753.1 Ar Lorenz, Caspary, et al., 1997


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

Sigmag+ 1 Sym. stretch 360 ± 15 gas AB DeKock and Gruen, 1966
1 Sym. stretch 360.6 w Ne LF Lorenz, Caspary, et al., 1997
Piu 2 Bend 88.76 w Ne LF Lorenz, Caspary, et al., 1997

State:   2Sg+


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

To = 1910.9 Ne Lorenz, Caspary, et al., 1997
To = 1616.5 Ar Lorenz, Caspary, et al., 1997


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

Sigmag+ 1 Sym. stretch 389.4 w Ne LF Lorenz, Caspary, et al., 1997
1 Sym. stretch 391.7 T w Ar LF Lorenz, Caspary, et al., 1997
Piu 2 Bend 102.6 w Ne LF Lorenz, Caspary, et al., 1997
2 Bend 100.3 w Ar LF Lorenz, Caspary, et al., 1997

State:   2Pig,1/2


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

To = 474.1 Ne Lorenz, Caspary, et al., 1997
To = 303.6 T Ar Lorenz, Caspary, et al., 1997


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

Sigmag+ 1 Sym. stretch 350.1 w Ne LF Lorenz, Caspary, et al., 1997
1 Sym. stretch 344.5 w Ar LF Lorenz, Caspary, et al., 1997
Piu 2 Bend 103.6 w Ne LF Lorenz, Caspary, et al., 1997
2 Bend 111.1 w Ar LF Lorenz, Caspary, et al., 1997

State:   X


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

Sigmag+ 1 Sym. stretch 371.69 w gas LF Ross, Bacis, et al., 1993
Crozet, Coste, et al., 1993
Bouvier, Bosch, et al., 1996
Ross, Crozet, et al., 1996
Beattie, Brown, et al., 1997
1 Sym. stretch 369.36 ± 0.04 gas LF Barnes and Brown, 2007
1 Sym. stretch 370.6 w Ne LF Lorenz, Caspary, et al., 1997
1 Sym. stretch 367.3 w Ar LF Lorenz, Caspary, et al., 1997
Piu 2 Bend 95.81 w gas LF Crozet, Ross, et al., 1995
Ross, Crozet, et al., 1996
Beattie, Brown, et al., 1997
2 Bend 97.0 w Ne LF Lorenz, Caspary, et al., 1997
2 Bend 98.6 w Ar LF Lorenz, Caspary, et al., 1997
Sigmau+ 3 Asym. stretch 525.90 w gas IR LF Leroi, James, et al., 1962
Ross, Bacis, et al., 1993
Crozet, Coste, et al., 1993
Bouvier, Bosch, et al., 1996
Ross, Crozet, et al., 1996
Beattie, Brown, et al., 1997
3 Asym. stretch 522.18 gas LF Beattie, Brown, et al., 1997
Barnes and Brown, 2007
3 Asym. stretch 522.3 w Ne LF Lorenz, Caspary, et al., 1997
3 Asym. stretch 514.4 w Ar LF Lorenz, Caspary, et al., 1997

Additional references: Jacox, 2003, page 129; Lorenz, Smith, et al., 2001; Hodges, Ross, et al., 2007

Notes

wWeak
UUpper bound
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.
xxEnergy separation between the band maxima of both the excited state and the ground state of a molecular cation, derived from a photoelectron spectrum.

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.

DeKock and Gruen, 1966
DeKock, C.W.; Gruen, D.M., Electronic Absorption Spectra of the Gaseous 3d Transition-Metal Dichlorides, J. Chem. Phys., 1966, 44, 12, 4387, https://doi.org/10.1063/1.1726648 . [all data]

Wang, Wang, et al., 2001
Wang, X.-B.; Wang, L.-S.; Brown, R.; Schwerdtfeger, P.; Schroder, D.; Schwarz, H., The electronic structure of CuCl[sub 2] and CuBr[sub 2] from anion photoelectron spectroscopy and ab initio calculations, J. Chem. Phys., 2001, 114, 17, 7388, https://doi.org/10.1063/1.1362289 . [all data]

Barnes and Brown, 2007
Barnes, M.P.; Brown, J.M., Vibrational and rotational analyses of bands between 636 and 660nm in the red system of CuCl2, J. Mol. Spectrosc., 2007, 241, 2, 200, https://doi.org/10.1016/j.jms.2006.12.007 . [all data]

Hougen, Leroi, et al., 1961
Hougen, J.T.; Leroi, G.E.; James, T.C., Application of Ligand Field Theory to the Electronic Spectra of Gaseous CuCl2, NiCl2, and CoCl2, J. Chem. Phys., 1961, 34, 5, 1670, https://doi.org/10.1063/1.1701063 . [all data]

Ross, Bacis, et al., 1993
Ross, A.J.; Bacis, R.; Bouvier, A.J.; Churassy, S.; Coste, J.-C.; Crozet, P.; Russier, I., The Ground State of the CuCl2 Molecule from Laser-Induced Fluorescence, J. Mol. Spectrosc., 1993, 158, 1, 27, https://doi.org/10.1006/jmsp.1993.1052 . [all data]

Barnes, Carter, et al., 1993
Barnes, M.P.; Carter, R.T.; Lakin, N.M.; Brown, J.M., J. Chem. Soc., 1993, Faraday Trans. 89, 3205. [all data]

Crozet, Coste, et al., 1993
Crozet, P.; Coste, J.C.; Bacis, R.; Bouvier, A.J.; Churassy, S.; Ross, A.J., Study of isotope effects in the ground state of the symmetrical isotopomers of CuCl2, Chem. Phys., 1993, 178, 1-3, 505, https://doi.org/10.1016/0301-0104(93)85088-P . [all data]

Crozet, Ross, et al., 1995
Crozet, P.; Ross, A.J.; Bacis, R.; Barnes, M.P.; Brown, J.M., Fourier Transform Spectra of Laser-Induced Fluorescence in the 2«PI»u-X (2«PI»g) Transition of 63Cu37Cl2: Renner-Teller and K-Doubling Interactions in the X (0 2l 0) Rovibronic Levels, J. Mol. Spectrosc., 1995, 172, 1, 43, https://doi.org/10.1006/jmsp.1995.1154 . [all data]

Bouvier, Bosch, et al., 1996
Bouvier, A.J.; Bosch, E.; Bouvier, A., Isotopic effects in the ground state of the non-symmetrical isotopomers of CuCl2, Chem. Phys., 1996, 202, 1, 139, https://doi.org/10.1016/0301-0104(95)00325-8 . [all data]

Ross, Crozet, et al., 1996
Ross, A.J.; Crozet, P.; Bacis, R.; Churassy, S.; Erba, B.; Ashworth, S.H.; Lakin, N.M., et al., Laser-Induced Fluorescence from CuCl2in a Free-Jet Expansion: High-Resolution Fourier Transform Spectra, J. Mol. Spectrosc., 1996, 177, 1, 134, https://doi.org/10.1006/jmsp.1996.0125 . [all data]

Bosch, Crozet, et al., 2000
Bosch, E.; Crozet, P.; Ross, A.J.; Brown, J.M., Fourier Transform Spectra of the E2«PI»u--X2«PI»g(3/2) System of CuCl2, J. Mol. Spectrosc., 2000, 202, 2, 253, https://doi.org/10.1006/jmsp.2000.8128 . [all data]

Lorenz, Caspary, et al., 1997
Lorenz, M.; Caspary, N.; Foeller, W.; Agreiter, J.; Smith, A.M.; Bondybey, V.E., Mol. Phys., 1997, 91, 483. [all data]

DeKock and Gruen, 1968
DeKock, C.W.; Gruen, D.M., Charge-Transfer Spectra of Matrix-Isolated 3d Transition-Metal Dichlorides, J. Chem. Phys., 1968, 49, 10, 4521, https://doi.org/10.1063/1.1669906 . [all data]

Tokuda, Fujii, et al., 1990
Tokuda, T.; Fujii, N.; Yoshida, S.; Shimizu, K.; Tanaka, I., New emission of CuCl2 in chemically produced O2(1«DELTA») flow, Chem. Phys. Lett., 1990, 174, 5, 385, https://doi.org/10.1016/S0009-2614(90)87166-O . [all data]

Bouvier, Bacis, et al., 1991
Bouvier, A.J.; Bacis, R.; Bonnet, J.; Churassy, S.; Crozet, P.; Erba, B.; Koffend, J.B., et al., Comparison of emission spectra of CuCl2 obtained via energy transfer from O2(1«DELTA»g) with laser-induced fluorescence spectra, Chem. Phys. Lett., 1991, 184, 1-3, 133, https://doi.org/10.1016/0009-2614(91)87177-D . [all data]

Beattie, Brown, et al., 1997
Beattie, I.R.; Brown, J.M.; Crozet, P.; Ross, A.J.; Yiannopoulou, A., On the Geometry of the CuCl, Inorg. Chem., 1997, 36, 14, 3207, https://doi.org/10.1021/ic961509r . [all data]

Leroi, James, et al., 1962
Leroi, G.E.; James, T.C.; Hougen, J.T.; Klemperer, W., Infrared Spectra of Gaseous Transition-Metal Dihalides, J. Chem. Phys., 1962, 36, 11, 2879, https://doi.org/10.1063/1.1732394 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Lorenz, Smith, et al., 2001
Lorenz, M.; Smith, A.M.; Bondybey, V.E., Electronic structure and spectroscopy of copper dichloride, J. Chem. Phys., 2001, 115, 17, 8251, https://doi.org/10.1063/1.1407843 . [all data]

Hodges, Ross, et al., 2007
Hodges, P.J.; Ross, A.J.; Crozet, P.; Salami, H.; Brown, J.M., On the spin-orbit splitting of CuCl[sub 2] in its [sup 2]«PI»[sub g] ground state, J. Chem. Phys., 2007, 127, 2, 024309, https://doi.org/10.1063/1.2747239 . [all data]


Notes

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