ruthenium carbide

Formula: CRu
Molecular weight: 113.08
CAS Registry Number: 12012-13-4
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Constants of diatomic molecules

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

Data collected through May, 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 ¹⁰²Ru¹²C
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
For the following states, the first line displays constants for the upper state, e.g. ω' and the second line diplays constants for the lower state, e.g. ω".
XI 2					0.513₃			9.7E-₇		1.749	← R	23802.00 1 Z
XI 2	↳Scullman and Thelin, 1972
XI					[0.587₅]			[7.₅E-7]		[1.635]	← R	23802.00 1 Z
	↳Scullman and Thelin, 1972
	23299	[743.25] Z			0.5234	0.0069		[9.5E-₇] 3		1.732₁	4 ← 4 4 R	23152.00 Z
	↳Scullman, 1971; missing citation
	23299	1038.8 Z	4.6₄		0.5878	00.0036		8.3E-7		1.634₄	4 ← 4 4 R	23152.00 Z
	↳Scullman, 1971; 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
IX	22925	[775.25] 5 H			[0.5273]	0.0077 5		[10E-7]		[1.725₆]	← R	22803.25 Z
	↳Scullman, 1971; Scullman and Thelin, 1972
	22925	[1018] H			[0.588₅]			[7.₅E-7]		[1.633]	← R	22803.25 Z
	↳Scullman, 1971; Scullman and Thelin, 1972
VIII 6					[0.5637]			[9.6E-₇]		[1.669₀]	→ R	15344.82 Z
	↳Scullman and Thelin, 1971
					[0.5882]			[8.9E-7]		[1.633₉]	→ R	15344.82 Z
	↳Scullman and Thelin, 1971
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
VII	13862.6₄	954.5₆ Z	5.39		0.5702	0.0043		9.0E-7	-3E-8	1.659₅	4 ↔ 3 R	13820.19 Z
	↳missing citation; Scullman and Thelin, 1972
	13862.6₄	1039.1₄ Z	4.7₅		0.5882	0.0040		7.7E-7		1.633₉	4 ↔ 3 R	13820.19 Z
	↳missing citation; Scullman and Thelin, 1972
	13353	[962] H			[0.5701]			[10.2E-₇]		[1.659₆]	→ R	13312.69 Z
	↳Scullman and Thelin, 1971
	13353	[1043] H			[0.5887]			[9.₆E-7]		[1.633₂]	→ R	13312.69 Z
	↳Scullman and Thelin, 1971
	13328	[949]			[0.569₇]			[9.6E-₇]		[1.660]	→ R	13286.43 Z
	↳Scullman and Thelin, 1971
	13328	[1032]			[0.5882]			[8.₆E-7]		[1.633₉]	→ R	13286.43 Z
	↳Scullman and Thelin, 1971
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
IV	13138	960 H	3		[0.5698]			[8.4E-₇]		[1.660₀]	2 → 1 R	13094.87 Z
	↳Scullman and Thelin, 1971
	13138	1048 H	5.₅		[0.5879] 7			[8.1E-7]		[1.634₃]	2 → 1 R	13094.87 Z
	↳Scullman and Thelin, 1971
III	12913	[944] H			[0.5691]			[9.4E-₇]		[1.661₁]	→ R	12875.23 Z
	↳Scullman and Thelin, 1971
	12913	[1020] H			[0.5882]			[9.₀E-7]		[1.633₉]	→ R	12875.23 Z
	↳Scullman and Thelin, 1971
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
II 6					[0.5710]			[9.1E-₇]		[1.658₃]	(2) → (3) R	12658.26 Z
	↳Scullman and Thelin, 1971
					[0.5864]			[7.8E-7]		[1.636₄]	(2) → (3) R	12658.26 Z
	↳Scullman and Thelin, 1971
I	12664	(950) H			[0.5653]			[7.5E-₇]		[1.666₆]	→ R	12624.28 Z
	↳Scullman and Thelin, 1971
	12664	(1030) H			[0.5870]			[6.6E-₇]		[1.635₅]	→ R	12624.28 Z
	↳Scullman and Thelin, 1971

Notes

Only 1-0 band analyzed.

Constants for v=1:

D₁ = 8.₀E-7.

It is possible that the lower state of system X is identical with that of system VII. In this case, Ω' = Ω" = 3.

Assignment of 1-0 band not certain. Lower state constants for this band are B₀" = 0.5869, D₀" = 7.₀E-7.

0-0 sequence only.

The Ω-type doubling in the 0-0 band, Δν ~0.000103~J(J+1), is believed to arise in the lower state.

Thermochemical value (mass-spectrometry) McIntyre, Auwera-Mahieu, et al., 1968, revised Auwera-Mahieu, Peeters, et al., 1970, Gingerich, 1974.

Perturbations.

References

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Scullman and Thelin, 1972
Scullman, R.; Thelin, B., The spectrum of RuC in the region 4100-4800 Å, Phys. Scr., 1972, 5, 201. [all data]

Scullman, 1971
Scullman, Dissertation, see USIP Report 71-02, Stockholm, 1971, 1. [all data]

Scullman and Thelin, 1971
Scullman, R.; Thelin, B., The spectrum of RuC in the region 6000-8700 Å, Phys. Scr., 1971, 3, 19-34. [all data]

McIntyre, Auwera-Mahieu, et al., 1968
McIntyre, N.S.; Auwera-Mahieu, A.V.; Drowart, J., Mass spectrometric determination of the dissociation energies of gaseous RuC, IrC and PtB, J. Chem. Soc. Faraday Trans., 1968, 64, 3006. [all data]

Auwera-Mahieu, Peeters, et al., 1970
Auwera-Mahieu, A.V.; Peeters, R.; McIntyre, N.S.; Drowart, J., Mass spectrometric determination of dissociation energies of the borides and suicides of some transition metals, J. Chem. Soc. Faraday Trans., 1970, 66, 809. [all data]

Gingerich, 1974
Gingerich, K.A., Thermodynamic evidence for quadruple bond formation in the molecule ThRu and possible maximum bond energy between ligand-free metal atoms, Chem. Phys. Lett., 1974, 25, 523. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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