Carbon monoselenide

Formula: CSe
Molecular weight: 90.97
CAS Registry Number: 16674-18-3
Information on this page:
Data at other public NIST sites:
- Microwave spectra (on physics lab web site)
- Gas Phase Kinetics Database
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to CSe⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	198.8	kcal/mol	N/A	Hunter and Lias, 1998	at C; HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	191.3	kcal/mol	N/A	Hunter and Lias, 1998	at C; HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.8 ± 0.5	EI	Smoes and Drowart, 1977	LLK
10.943	DER	Radler and Berkowitz, 1977	LLK

Constants of diatomic molecules

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

Data collected through November, 1976

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 ¹²C⁸⁰Se
State	T_e	ω_e	ω_ex_e	B_e	α_e	D_e	r_e	Trans.	ν₀₀
A ¹Π	(35243)	[817.7] 1		[0.487] 2			[1.82₁]	A ↔ X R	35135.25 3
A ¹Π	↳missing citation; Laird and Barrow, 1953; missing citation; missing citation
a ²Π₂	(not observed)
a ³Π₁	(24466)			[0.544]			[1.72₃]	a → X R	24396.6 Z
a ³Π₁	↳Lebreton, Bosser, et al., 1973
a ³Π₀₊	(24150)	[893.2] H		[0.544]					24080 Z
X ¹Σ⁺	0	1035.36 Z	4.86	0.5750 4	0.00379	0.00000071 5	1.67647 6 7
X ¹Σ⁺	↳McGurk, Tigleaar, et al., 1973

Notes

ΔG(3/2) = 833.7 Stringat, Bacci, et al., 1974; from the Q(1) lines of the 0-1, 1-1,2-1 bands Stringat, Bacci, et al., 1974. This state is strongly perturbed and no meaningful vibrational and rotational constants can be given. The absorption spectrogram of Callear and Tyerman, 1965 shows in addition to ¹Π - ¹Σ some absorption bands probably due to some of the perturbing levels, in particular one progression which may be a' ³Σ⁺ ← X ¹Σ⁺ in analogy to CO and CS.

B₁ = 0.497, B₂ = 0.482, B₃ = 0.447; see 1.

Q(1) line for the 0-0 band Stringat, Bacci, et al., 1974.

B₀ = 0.573155 McGurk, Tigleaar, et al., 1973 from the microwave spectrum McGurk, Tigleaar, et al., 1973.

β_e= -0.2₅E-7

From the B₀ values for various isotopes obtained from the microwave spectrum McGurk, Tigleaar, et al., 1973.

Microwave sp. 9

Thermochemical value (mass-spectrom.) Rosen, 1970.

Dipole moment from Stark effect 1.99 D McGurk, Tigleaar, et al., 1973; molecular g factor from Zeeman effect -0.2431.

References

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Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Smoes and Drowart, 1977
Smoes, S.; Drowart, J., Determination of the atomization energies of the molecules CSe(g) and CSe₂(g) by the mass spectrometric Knudsen cell method, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1746. [all data]

Radler and Berkowitz, 1977
Radler, K.; Berkowitz, J., Photoionization mass spectrometric study of CSe₂, J. Chem. Phys., 1977, 66, 2176. [all data]

Laird and Barrow, 1953
Laird, R.K.; Barrow, R.F., The ultra-violet band spectrum of carbon monoselenide, Proc. Phys. Soc. London Sect. A, 1953, 66, 836. [all data]

Lebreton, Bosser, et al., 1973
Lebreton, J.; Bosser, G.; Marsigny, L., New emission spectrum of carbon monoselenide, J. Phys. B:, 1973, 6, 226. [all data]

McGurk, Tigleaar, et al., 1973
McGurk, J.; Tigleaar, H.L.; Rock, S.L.; Norris, C.L.; Flygare, W.H., Detection assignment of the microwave spectrum and the molecular Stark and Zeeman effects in CSe, and the Zeeman effect and sign of the dipole moment in CS, J. Chem. Phys., 1973, 58, 1420. [all data]

Stringat, Bacci, et al., 1974
Stringat, R.; Bacci, J.-P.; Pischedda, M.-H., Rotational analysis of the ¹Π-X¹Σ⁺ system of C⁸⁰Se, Can. J. Phys., 1974, 52, 813. [all data]

Callear and Tyerman, 1965
Callear, A.B.; Tyerman, W.J.R., Flash photolysis of carbon diselenid, Trans. Faraday Soc., 1965, 61, 2395. [all data]

Rosen, 1970
Rosen, B., International tables of selected constants. 17. Spectroscopic data relative to diatomic molecules, Pub. Pergamon Press, Oxford, 1970, 0. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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