Nickel hydride (NiH)

Formula: HNi
Molecular weight: 59.7013
CAS Registry Number: 14332-32-2
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through April, 1975

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Diffuse R shaded head in absorption at 34073 cm^-1
↳Smith, 1973
C₂ ²Δ_3/2	1				[6.31₁] 2 3			[7.6E-4]		[1.642]	C₂ ← X₂ R	23100.80 4 Z
	↳Andersen, Lagerqvist, et al., 1963; Aslund, Neuhaus, et al., 1965
											C₂ ← X₁ R	24081.2₃ 4 Z
	↳Andersen, Lagerqvist, et al., 1963; Aslund, Neuhaus, et al., 1965
C₁ ²Δ_5/2					[6.156] 2 5			[6.1E-4]		[1.662₇]	C₁ ↔ X₁ R	23760.7 4 Z
C₁ ²Δ_5/2	↳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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ²Δ_5/2	16193	1570.9 Z	34.55 6		7						B ↔ X₁ R	15977.3 4 Z
B ²Δ_5/2	↳missing citation; Heimer, 1937; Heimer, 1937, 2; Smith, 1973
A ²Δ_5/2					[6.283] 8			[4.7₅E-4]		[1.645₈]	A ↔ X₁ R	15520.1 4 Z
A ²Δ_5/2	↳missing citation; Heimer, 1937; Heimer, 1937, 2; Smith, 1973
X₂ ²Δ_3/2	(980)				[7.781] 2			[5.9E-4]		[1.4789]
X₁ ²Δ_5/2	0 9	[1926.6] Z	(38) 10		[7.700] 2	0.23₁ 11		[4.81E-4] 11		1.475₆

Notes

A₀ = -160.2 +...

For Λ-type doubling see Aslund, Neuhaus, et al., 1965.

Lines with J' ≥ ~11 1/2 are diffuse.

These band origins are corrected for J-independent terms not usually taken into account in these tables.

Lines with J' ≥ ~12 are diffuse, both in absorption and in thermal emission.

From v=0, ..., 3 only. See 7.

All observed levels perturbed. Heimer Heimer, 1937, Heimer, 1937, 2 obtained the following B_v values by extrapolation to J=0: v=0, B_v = 5.113 Heimer, 1937, Heimer, 1937, 2 (increasing with J), v=1, B_v = 5.350 Heimer, 1937, Heimer, 1937, 2 (increasing with J), v=2, B_v = 5.480 Heimer, 1937, Heimer, 1937, 2 (increasing with J), v=3, B_v = 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.

Λ-type doubling increases rapidly above J=9 1/2. See Heimer, 1937.

A₀ = -490.2 +...

From isotope relations.

D₁= 7.8E-4. Heimer Heimer, 1937, Heimer, 1937, 2 finds α_e= 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.

From the predissociation in C₁.

It is not certain that the level assigned as v=1 (B₁ = 3.410, D₁ = 3.6E-4) belongs to the same electronic state.

Lines of the 1-0 band with J ≥ 9 1/2 are broad.

D₁ = 2.0E-4.

All observed levels perturbed. Extrapolation to J=0 gives B₀ = 2.930, B₁ = 2.710, B₂ = 2.463.

D₁ = 1.4₀E-4.

References

Go To: Top, Constants of diatomic molecules, Notes

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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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