beryllium sulphide

Formula: BeS
Molecular weight: 41.077
IUPAC Standard InChI: InChI=1S/Be.S
IUPAC Standard InChIKey: FQDSYGKTHDFFCM-UHFFFAOYSA-N
CAS Registry Number: 13598-22-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Beryllium sulfide
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
Options:
- Switch to calorie-based units

Constants of diatomic molecules

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

Data collected through April, 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 ⁹Be³²S
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 (³Π)											(b ← a) R	25961.8 H
	↳missing citation
											(b ← a) R	25941.8 H
	↳missing citation
											(b ← a) R	25924.5 H
	↳missing citation
B ^lΣ⁺	25941.6 1	851.35 Z	4.85		0.72894	0.00604	-0.00003	0.00000214		1.8136₈	B ↔ X R	25868.61 Z
B ^lΣ⁺	↳Gissane and Barrow, 1963; 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
C (¹Δ)	13545.8	[660.7] 1	5.5		[0.5963] 1	0.0069				[2.005] 1
A ¹Π	7960.1	762.46 2 Z	4.12		0.6590 2 3 4	0.00605	0.000025	0.000002		1.907₅	A → X R	7842.9 2 Z
A ¹Π	↳missing citation
a (³Π)
X ¹Σ⁺	0 5	997.94 Z	6.137		0.79059	O.OO664	-0.00002	0.000002		1.7415₃

Notes

Constants for the lowest observed level and interval, vibrational numbering unknown. From perturbations in A ¹Π.

Vibrational numbering uncertain.

Constants for the f component; Δν_fe ~ +0.00015J(J+1).

The A ¹Π state is perturbed by three states, one of them being X ¹Σ+, another probably ¹Δ.

Theoretical calculations Verhaegen and Richards, 1967 support a ¹Σ ground state.

From Gaydon Gaydon, 1968.

References

Go To: Top, Constants of diatomic molecules, Notes

Gissane and Barrow, 1963
Gissane, W.J.M.; Barrow, R.F., Rotational analysis of a system B¹Σ⁺ ← X¹Σ⁺ of BeS, Proc. Phys. Soc. London, 1963, 82, 1065. [all data]

Verhaegen and Richards, 1967
Verhaegen, G.; Richards, W.G., The ground state of the BeS molecule, Proc. Phys. Soc. London, 1967, 90, 579. [all data]

Gaydon, 1968
Gaydon, A.G., Dissociation energies and spectra of diatomic molecules, Chapman and Hall, Ltd., 3rd Edition, London, 1968, 1. [all data]

Notes

Go To: Top, Constants of diatomic molecules, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.