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Nickel hydride (NiH)


Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through April, 1975

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for (58)NiH
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Diffuse R shaded head in absorption at 34073 cm-1
Smith, 1973
C2 2Delta3/2 1    [6.311] 2 3   [7.6E-4]  [1.642] C2 larrow X2 R 23100.80 4 Z
Andersen, Lagerqvist, et al., 1963; Aslund, Neuhaus, et al., 1965
           C2 larrow X1 R 24081.23 4 Z
Andersen, Lagerqvist, et al., 1963; Aslund, Neuhaus, et al., 1965
C1 2Delta5/2     [6.156] 2 5   [6.1E-4]  [1.6627] C1 lrarrow X1 R 23760.7 4 Z
missing citation; Andersen, Lagerqvist, et al., 1963; Aslund, Neuhaus, et al., 1965
R shaded absorption bands with heads at 19681 and 19890 cm-1. Perturbations.
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Delta5/2 16193 1570.9 Z 34.55 6  7      B lrarrow X1 R 15977.3 4 Z
missing citation; Heimer, 1937; Heimer, 1937, 2; Smith, 1973
A 2Delta5/2     [6.283] 8   [4.75E-4]  [1.6458] A lrarrow X1 R 15520.1 4 Z
missing citation; Heimer, 1937; Heimer, 1937, 2; Smith, 1973
X2 2Delta3/2 (980)    [7.781] 2   [5.9E-4]  [1.4789]  
X1 2Delta5/2 0 9 [1926.6] Z (38) 10  [7.700] 2 0.231 11  [4.81E-4] 11  1.4756  

Notes

1A0 = -160.2 +...
2For Lambda-type doubling see Aslund, Neuhaus, et al., 1965.
3Lines with J' geq ~11 1/2 are diffuse.
4These band origins are corrected for J-independent terms not usually taken into account in these tables.
5Lines with J' geq ~12 are diffuse, both in absorption and in thermal emission.
6From v=0, ..., 3 only. See 7.
7All observed levels perturbed. Heimer Heimer, 1937, Heimer, 1937, 2 obtained the following Bv values by extrapolation to J=0: v=0, Bv = 5.113 Heimer, 1937, Heimer, 1937, 2 (increasing with J), v=1, Bv = 5.350 Heimer, 1937, Heimer, 1937, 2 (increasing with J), v=2, Bv = 5.480 Heimer, 1937, Heimer, 1937, 2 (increasing with J), v=3, Bv = 5.900 Heimer, 1937, Heimer, 1937, 2 (decreasing with increasing J). A reanalysis of the red band systems of NiH is considered necessary by Aslund, Neuhaus, et al., 1965.
8Lambda-type doubling increases rapidly above J=9 1/2. See Heimer, 1937.
9A0 = -490.2 +...
10From isotope relations.
11D1= 7.8E-4. Heimer Heimer, 1937, Heimer, 1937, 2 finds alphae= 0.248, D1= 5.1E-4, but his interpretation of a perturbation in the 0-1 band of C1-X1 is questioned by Aslund, Neuhaus, et al., 1965.
12From the predissociation in C1.
13It is not certain that the level assigned as v=1 (B1 = 3.410, D1 = 3.6E-4) belongs to the same electronic state.
14Lines of the 1-0 band with J geq 9 1/2 are broad.
15D1 = 2.0E-4.
16All observed levels perturbed. Extrapolation to J=0 gives B0 = 2.930, B1 = 2.710, B2 = 2.463.
17D1 = 1.40E-4.

References

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

Smith, 1973
Smith, R.E., Diatomic hydride and deuteride spectra of the second row transition metals, Proc. R. Soc. London A, 1973, 332, 113. [all data]

Andersen, Lagerqvist, et al., 1963
Andersen, E.; Lagerqvist, A.; Neuhaus, H.; Aslund, N., Bands of NiH and NiD in the violet region of the spectrum, Proc. Phys. Soc. London, 1963, 82, 637. [all data]

Aslund, Neuhaus, et al., 1965
Aslund, N.; Neuhaus, H.; Lagerqvist, A.; Andersen, E., Rotational analysis of violet bands of NiH and NiD, Ark. Fys., 1965, 28, 271. [all data]

Heimer, 1937
Heimer, A., Dissertation, Stockholm, 1937, 0. [all data]

Heimer, 1937, 2
Heimer, A., Das rote bandenspektrum des nickelhydrids, Z. Phys., 1937, 105, 56. [all data]


Notes

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