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NiCl2


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:   ?


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

To = 41500 T Ar Jacox and Milligan, 1969

State:   UV3


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

To = 34652 Ar 270 289 Milligan, Jacox, et al., 1965
DeKock and Gruen, 1968
Jacox and Milligan, 1969


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

1 Sym. stretch 290 ± 15 Ar AB Milligan, Jacox, et al., 1965
DeKock and Gruen, 1968
Jacox and Milligan, 1969

State:   UV2


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

To = 30760 Ar 298 325 Milligan, Jacox, et al., 1965
DeKock and Gruen, 1968
Jacox and Milligan, 1969


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

250 T Ar AB Milligan, Jacox, et al., 1965
DeKock and Gruen, 1968
Jacox and Milligan, 1969

State:   UV1


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

gas 353 374 Miescher, 1938
Hougen, Leroi, et al., 1961
Zink, Grieman, et al., 1991
van den Hoek and Brown, 1997
To = 27166 Ar 327 368 Milligan, Jacox, et al., 1965
DeKock and Gruen, 1968
Jacox and Milligan, 1969


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

1 Sym. stretch 260 ± 15 Ar AB Milligan, Jacox, et al., 1965
DeKock and Gruen, 1968
Jacox and Milligan, 1969

State:   3Dg ?


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

To = 21480.64 gas 3Ag-X 439 495 Miescher, 1938
Hougen, Leroi, et al., 1961
DeKock and Gruen, 1966
DeKock and Gruen, 1967
Grieman, Ashworth, et al., 1990
Ashworth, Grieman, et al., 1990
Ashworth, Grieman, et al., 1996
Ashworth and Brown, 1998
To = 20500 ± 2 gas 3Ag-A 487 539 Ashworth and Brown, 1998
To = 21590 Ne 3Ag-X 439 486 Bukhmarina, 1989
To = 21465 Ne 3Ag-X 439 486 Bukhmarina, 1989
To = 19405 Ne 3Ag-A 515 591 Bukhmarina, 1989
To = 21300 Ar 3Ag-X 446 491 Bukhmarina, 1989
To = 21257 Ar 3Ag-X 446 491 Gruen, Clifton, et al., 1968
Jacox and Milligan, 1969
To = 19537 Ar 3Ag-A 509 529 Gruen, Clifton, et al., 1968
Jacox and Milligan, 1969


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

Sigmag+ 1 Sym. stretch 357.21 w gas LF Grieman, Ashworth, et al., 1990
Ashworth, Grieman, et al., 1990
Ashworth, Grieman, et al., 1996
1 Sym. stretch 355 T Ne AB Bukhmarina, 1989
1 Sym. stretch 350 T Ar AB Bukhmarina, 1989
Piu 2 Bend 60.66 w gas LF Ashworth, Grieman, et al., 1990
Ashworth, Grieman, et al., 1996
Sigmau+ 3 Asym. stretch 530.95 w gas LF Ashworth, Grieman, et al., 1996

State:   ?


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

Ar 582 583 Gruen, Clifton, et al., 1968

State:   ?


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

Ne 595 648 Bukhmarina, 1989

State:   ?


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

Ar 610 632 Bukhmarina, 1989

State:   ?


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

Tx = 14510 T gas DeKock and Gruen, 1966
DeKock and Gruen, 1967

State:   ?


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

Tx = 13000 T gas Hougen, Leroi, et al., 1961
DeKock and Gruen, 1966
DeKock and Gruen, 1967

State:   ?


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

Ne 780 783 Bukhmarina, 1989

State:   ?


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

Ar 791 802 Bukhmarina, 1989

State:   ?


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

Tx = 11727 gas DeKock and Gruen, 1966
DeKock and Gruen, 1967

State:   ?


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

Tx = 4000 T gas Hougen, Leroi, et al., 1961
DeKock and Gruen, 1966
DeKock and Gruen, 1967

State:   A


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

To = 1572 T gas 3Ag-A 487 539 Ashworth and Brown, 1998
To = 2060 Ne 3Ag-A 515 591 Bukhmarina, 1989
To = 1720 T Ar 3Ag-A 509 529 Gruen, Clifton, et al., 1968
Jacox and Milligan, 1969


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

Sigmag+ 1 Sym. stretch 366.3 ± 0.8 gas LF Ashworth and Brown, 1998
1 Sym. stretch 370 Ne EM LF Bukhmarina, 1989
1 Sym. stretch 360 Ar EM Gruen, Clifton, et al., 1968
Jacox and Milligan, 1969

State:   X


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

Sigmag+ 1 Sym. stretch 359.2 ± 0.3 gas LF Zink, Brown, et al., 1988
Grieman, Ashworth, et al., 1990
Ashworth, Grieman, et al., 1996
Ashworth and Brown, 1998
1 Sym. stretch 357 Ne Ra Bukhmarina, 1989
1 Sym. stretch 360 Ar EM Ra Gruen, Clifton, et al., 1968
Jacox and Milligan, 1969
Bukhmarina, 1989
Piu 2 Bend 87.28 gas LF Zink, Brown, et al., 1988
Ashworth, Grieman, et al., 1990
Ashworth, Grieman, et al., 1996
Ashworth and Brown, 1998
2 Bend 85 Ar IR Thompson and Carlson, 1968
Sigmau+ 3 Asym. stretch 520.4 H gas IR LF Randall, Greene, et al., 1959
Leroi, James, et al., 1962
Zink, Brown, et al., 1988
Ashworth, Grieman, et al., 1996
Ashworth and Brown, 1998
3 Asym. stretch 529.6 Ne IR Hastie, Hauge, et al., 1971
3 Asym. stretch 520.9 Ar IR Milligan, Jacox, et al., 1965
Hastie, Hauge, et al., 1971
Green, McDermott, et al., 1983
Beattie, Jones, et al., 1991

Additional references: Jacox, 2003, page 128

Notes

wWeak
H(1/2)(2nu)
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.

Jacox and Milligan, 1969
Jacox, M.E.; Milligan, D.E., Matrix-Isolation Study of the Infrared and Ultraviolet Spectra of Several First-Series Transition-Metal Dichlorides, J. Chem. Phys., 1969, 51, 9, 4143, https://doi.org/10.1063/1.1672639 . [all data]

Milligan, Jacox, et al., 1965
Milligan, D.E.; Jacox, M.E.; McKinley, J.D., Spectra of Matrix-Isolated NiF2 and NiCl2, J. Chem. Phys., 1965, 42, 3, 902, https://doi.org/10.1063/1.1696079 . [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]

Miescher, 1938
Miescher, E., Helv. Phys. Acta, 1938, 11, 463. [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]

Zink, Grieman, et al., 1991
Zink, L.R.; Grieman, F.J.; Brown, J.M.; Gilson, T.R.; Beattie, I.R., Vibrational structure in the laser excitation spectrum of nickel dichloride at 360 nm, J. Mol. Spectrosc., 1991, 146, 2, 225, https://doi.org/10.1016/0022-2852(91)90001-Q . [all data]

van den Hoek and Brown, 1997
van den Hoek, G.; Brown, J.M., Rotational Analysis of Bands in the 360-nm System of NiCl2: Indications of Interacting States, J. Mol. Spectrosc., 1997, 182, 1, 163, https://doi.org/10.1006/jmsp.1996.7211 . [all data]

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]

DeKock and Gruen, 1967
DeKock, C.W.; Gruen, D.M., Electronic-Absorption Spectra of Gaseous NiCl2, NiBr2, and NiI2. Axial Ligand Field Calculations Including Spin---Orbit Coupling, J. Chem. Phys., 1967, 46, 3, 1096, https://doi.org/10.1063/1.1840774 . [all data]

Grieman, Ashworth, et al., 1990
Grieman, F.J.; Ashworth, S.H.; Brown, J.M.; Beattie, I.R., Vibrational analysis of the 460 nm band system of nickel dichloride produced in a free jet expansion, J. Chem. Phys., 1990, 92, 11, 6365, https://doi.org/10.1063/1.458315 . [all data]

Ashworth, Grieman, et al., 1990
Ashworth, S.H.; Grieman, F.J.; Brown, J.M., Further observations of the 460 nm band system of nickel dichloride, cooled to lower temperatures in a free jet expansion, Chem. Phys. Lett., 1990, 175, 6, 660, https://doi.org/10.1016/0009-2614(90)85599-8 . [all data]

Ashworth, Grieman, et al., 1996
Ashworth, S.H.; Grieman, F.J.; Brown, J.M., Rotational analysis of bands in the 460 nm system of nickel dichloride produced in a free-jet expansion: Determination of the structure and electronic ground state of nickel dichloride, J. Chem. Phys., 1996, 104, 1, 48, https://doi.org/10.1063/1.470875 . [all data]

Ashworth and Brown, 1998
Ashworth, S.H.; Brown, J.M., Dispersed Fluorescence from the 460-nm Band System of NiCl2: Observation of a New, Low-Lying Electronic State, J. Mol. Spectrosc., 1998, 191, 2, 276, https://doi.org/10.1006/jmsp.1998.7639 . [all data]

Bukhmarina, 1989
Bukhmarina, V.N., and Yu. B. Predtechenskii, 1989, Opt. Spektrosk. 66, 1026. [all data]

Gruen, Clifton, et al., 1968
Gruen, D.M.; Clifton, J.R.; DeKock, C.W., Fluorescence Spectrum of Matrix-Isolated NiCl2, J. Chem. Phys., 1968, 48, 3, 1394, https://doi.org/10.1063/1.1668807 . [all data]

Zink, Brown, et al., 1988
Zink, L.R.; Brown, J.M.; Gilson, T.R.; Beattie, I.R., the dispersed fluorescence of nickel dichloride under molecular beam conditions: A determination of ground-state vibrational intervals, Chem. Phys. Lett., 1988, 146, 6, 501, https://doi.org/10.1016/0009-2614(88)87488-8 . [all data]

Thompson and Carlson, 1968
Thompson, K.R.; Carlson, K.D., Bending Frequencies and New Dimer Modes in the Far-Infrared Spectra of Transition-Metal Dihalides, J. Chem. Phys., 1968, 49, 10, 4379, https://doi.org/10.1063/1.1669885 . [all data]

Randall, Greene, et al., 1959
Randall, S.P.; Greene, F.T.; Margrave, J.L., The Infrared Spectra of Gaseous Magnesium Chloride, Magnesium Bromide and Nickel Chloride at Elevated Temperatures, J. Phys. Chem., 1959, 63, 5, 758, https://doi.org/10.1021/j150575a037 . [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]

Hastie, Hauge, et al., 1971
Hastie, J.W.; Hauge, R.H.; Margrave, J.L., High Temp. Sci., 1971, 3, 257. [all data]

Green, McDermott, et al., 1983
Green, D.W.; McDermott, D.P.; Bergman, A., Infrared spectra of the matrix-isolated chlorides of iron, cobalt, and nickel, J. Mol. Spectrosc., 1983, 98, 1, 111, https://doi.org/10.1016/0022-2852(83)90206-0 . [all data]

Beattie, Jones, et al., 1991
Beattie, I.R.; Jones, P.J.; Young, N.A., The interaction of some metal dichlorides (Ca, Cr, Mn, Fe, Co, Ni, Zn) with dinitrogen, Chem. Phys. Lett., 1991, 177, 6, 579, https://doi.org/10.1016/0009-2614(91)90088-Q . [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]


Notes

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