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DNi


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)NiD
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Diffuse R shaded head in absorption at 34073 cm-1.
missing citation
C2 2Delta3/2  [728.97] 1 Z   [3.271] 1 2  [1.62E-4] 1  [1.6272] C2 larrow X2 R 23171.69 3 Z
missing citation; Aslund, Neuhaus, et al., 1965
C1 2Delta5/2  [918.30] Z   [3.240] 0.188 2  [1.52E-4] 4  1.6117 C1 larrow X1 R 23830.47 3 Z
missing citation; Aslund, Neuhaus, et al., 1965
R shaded absorptionbands withheads at 19707 and 19845 cm-1. Perturbations.
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Delta5/2 16172 1130.0 Z 23.4  5      B larrow X1 R 16021.8 3 Z
missing citation
X2 2Delta3/2 (980)    [3.996]   [1.42E-4]  [1.4722]  
X1 2Delta5/2 0 [1390.09] Z (19) 6  [3.992] 0.092  [1.30E-4] 7  1.4645  

Notes

1It is not certain that the level assigned as v=1 (B1 = 3.410, D1 = 3.6E-4) belongs to the same electronic state.
2Lines of the 1-0 band with J geq 9 1/2 are broad.
3These band origins are corrected for J-independent terms not usually taken into account in these tables.
4D1 = 2.0E-4.
5All observed levels perturbed. Extrapolation to J=0 gives B0 = 2.930, B1 = 2.710, B2 = 2.463.
6From isotope relations.
7D1 = 1.40E-4.
8From the predissociation in C1.
9For Lambda-type doubling see Aslund, Neuhaus, et al., 1965.
10Lines with J' geq ~11 1/2 are diffuse.
11A0 = -160.2 +...
12Lines with J' geq ~12 are diffuse, both in absorption and in thermal emission.
13From v=0, ..., 3 only. See 14.
14All 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.
15Lambda-type doubling increases rapidly above J=9 1/2. See Heimer, 1937.
16A0 = -490.2 +...
17D1= 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.

References

Go To: Top, Constants of diatomic molecules, Notes

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

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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