Manganese monohydride

Formula: HMn
Molecular weight: 55.94599
CAS Registry Number: 14452-76-7
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Constants of diatomic molecules

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

Data collected through October, 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 ⁵⁵MnH
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
Complex rotational structure from 22600 to 24000 (max. 23360 - 23930) cm^-1; in emission.
↳missing citation
Open but very strongly perturbed rotational structure in the region 21270 - 22580 cm^-1; in emissionand absorption. Probably quintet transition.
↳missing citation; missing citation; Smith, 1973
Extremely complicated R shaded band with very dense structure centered around 20900 cm^-1; in emission and absorption. Probably quintet system.
↳Heimer, 1936; missing citation; missing citation; Smith, 1973
Complex rotational structure from 11200 to 14500 cm^-1; in emission.
↳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
A ⁷Π	17597 1 2	[1623] 3	(33)		6.425 4 5	0.187		[3.62E-4] 6		1.628	A ↔ X V	17666 3
A ⁷Π	↳Heimer, 1936; missing citation; missing citation; Nevin, 1945; missing citation; Nevin and Stephens, 1953
X ⁷Σ	0 1	1548.₀ Z	28.8		5.6841 4	0.1570 7		[3.039E-4] 8		1.7311
X ⁷Σ	↳Hayes, McCarvill, et al., 1957; Kovacs and Scari, 1959; Kovacs and Pacher, 1975

Notes

For and ab initio calculation of these two states see Bagus and Schaefer, 1973.

A = 40.6 [see Kovacs and Pacher, 1975].

From approximate origins for the F₄ component.

Approxiamte ("effective") constants. Improved ("true") constants for MnH (v=0) together with spin-orbit, spin-spin, spin-rotation interaction and l-uncoupling constants in Kovacs and Pacher, 1975. See also Kovacs, 1959, Pacher, 1974.

Perturbations.

D₁ = 3.64E-4; H₀ = 8.2E-9, H₁ = 7.4E-9.

γ_e= -0.0019.

D₁ = 3.053E-4; D₂ = 3.08E-4; H₀ = 9.3₃E-9; H₁ = 9.7₉E-9; H₂ = 10.2E-9. H_v values in Pacher, 1974 differ by an order of magnitude.

From the values for MnH.

H₀ = 1.2E-9.

D₁ = 8.22E-5; D₂ = 8.36E-5; H₀ = 1.4₁E-9; H₁ = 2.1₇E-9, H₂ = 2.9₃E-9.

References

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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]

Heimer, 1936
Heimer, T., Das bandenspektrum von MnH, Die Naturwissenschaften, 1936, 24, 521. [all data]

Nevin, 1945
Nevin, T.E., The spectrum of manganese hydride, MnH. II. The structure of the A⁷Π and X⁷Σ states, Proc. R. Ir. Acad. Sect. A:, 1945, 50, 123-137. [all data]

Nevin and Stephens, 1953
Nevin, T.E.; Stephens, D.V., New observations on the band spectra of MnH and MnD, Proc. R. Ir. Acad. Sect. A:, 1953, 55, 109-116. [all data]

Hayes, McCarvill, et al., 1957
Hayes, W.; McCarvill, P.D.; Nevin, T.E., The structure of the X⁷Σ state of MnH and MnD, Proc. Phys. Soc. London Sect. A, 1957, 70, 904. [all data]

Kovacs and Scari, 1959
Kovacs, I.; Scari, O., Intensity formulae for ⁷Π = ⁷Σ band, Acta Phys. Acad. Sci. Hung., 1959, 9, 423. [all data]

Kovacs and Pacher, 1975
Kovacs, I.; Pacher, P., Fine structure of ⁷Π and ⁷Σ states in diatomic molecules, J. Phys. B:, 1975, 8, 796. [all data]

Bagus and Schaefer, 1973
Bagus, P.S.; Schaefer, H.F., III, ⁷Σ⁺ and ⁷Π states of manganese hydride, J. Chem. Phys., 1973, 58, 1844. [all data]

Kovacs, 1959
Kovacs, J., On the structure of multiplet Σ states in diatomic molecules, Proc. R. Ir. Acad. Sect. A:, 1959, 60, 15-26. [all data]

Pacher, 1974
Pacher, P., Fine structure of septet states in diatomic molecules, the X⁷Σ⁺ state of MnH, Acta Phys. Acad. Sci. Hung., 1974, 35, 73. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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