NiCl2

Formula: Cl₂Ni
Molecular weight: 129.599
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Vibrational and/or electronic energy levels

State: ?

Energy (cm^-1)		Med.	References


T_o = 41500	T	Ar	Jacox and Milligan, 1969

State: UV³

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


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

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.	λ_min (nm)	λ_max (nm)	References


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

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.	λ_min (nm)	λ_max (nm)	References


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

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: ³D_g?

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


T_o = 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
T_o = 20500 ± 2	gas	3Ag-A	487	539	Ashworth and Brown, 1998
T_o = 21590	Ne	3Ag-X	439	486	Bukhmarina, 1989
T_o = 21465	Ne	3Ag-X	439	486	Bukhmarina, 1989
T_o = 19405	Ne	3Ag-A	515	591	Bukhmarina, 1989
T_o = 21300	Ar	3Ag-X	446	491	Bukhmarina, 1989
T_o = 21257	Ar	3Ag-X	446	491	Gruen, Clifton, et al., 1968
					Jacox and Milligan, 1969
T_o = 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


Σ_g⁺	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
Π_u	2	Bend	60.66	w	gas	LF	Ashworth, Grieman, et al., 1990 Ashworth, Grieman, et al., 1996
Σ_u⁺	3	Asym. stretch	530.95	w	gas	LF	Ashworth, Grieman, et al., 1996

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


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

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


Ne	595	648	Bukhmarina, 1989

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


Ar	610	632	Bukhmarina, 1989

State: ?

Energy (cm^-1)		Med.	References


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

State: ?

Energy (cm^-1)		Med.	References


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

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


Ne	780	783	Bukhmarina, 1989

State: ?

Med.	λ_min (nm)	λ_max (nm)	References


Ar	791	802	Bukhmarina, 1989

State: ?

Energy (cm^-1)	Med.	References


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

State: ?

Energy (cm^-1)		Med.	References


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

State: A

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


T_o = 1572	T	gas	3Ag-A	487	539	Ashworth and Brown, 1998
T_o = 2060		Ne	3Ag-A	515	591	Bukhmarina, 1989
T_o = 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


Σ_g⁺	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


Σ_g⁺	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
Π_u	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
Σ_u⁺	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

Weak

(1/2)(2ν)

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

Energy 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

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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NiCl2

Vibrational and/or electronic energy levels

State: ?

State: UV3

State: UV2

State: UV1

State: 3Dg ?

State: ?

State: ?

State: ?

State: ?

State: ?

State: ?

State: ?

State: ?

State: ?

State: A

State: X

Notes

References

Notes

State: UV³

State: UV²

State: UV¹

State: ³D_g?