Titanium monosulfide

Formula: STi
Molecular weight: 79.932
CAS Registry Number: 12039-07-5
Information on this page:
Other data available:
- Gas phase ion energetics data
Data at other public NIST sites:
- X-ray Photoelectron Spectroscopy Database, version 5.0
Options:
- Switch to calorie-based units

Constants of diatomic molecules

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

Data collected through June, 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 ⁽⁴⁸⁾Ti³²S
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 ³Δ₃	(11806)	484.12 Z	2.55		0.18905	0.00102	-1.₃E-5	[1.22E-7]		2.1610	C ↔ X R	11582.25 Z
C ³Δ₃	↳Clements and Barrow, 1969
C ³Δ₂	(11716)	484.30 Z	2.51₅		0.18820 1	0.00099	-1.9₅	[1.20E-7]		2.1610	C ↔ X R	11587.05 Z
C ³Δ₂	↳Clements and Barrow, 1969
C ³Δ₁	11624.₃				[0.18684]	2		[1.06E-7]		2.1610	C ↔ X R	11585.31 Z
C ³Δ₁	↳Clements and Barrow, 1969
(X) ³Δ₃	(185) 3	[558.17] Z	(1.95)		0.20344	0.00092		[1.12E-7]		2.0825
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
(X) ³Δ₂	(90) 3	[558.30] Z	(1.95)		0.20268	0.00092		[1.095E-₇]		2.0825
(X) ³Δ₁	0	[558.37] Z	(1.95)		0.20180	0.00090		[1.035E-₇]		2.0825

Notes

Small perturbations in v=0.

Extensive perturbations.

Estimated from the effective B values.

Thermochemical value (mass-spectrometry) Smoes, Coppens, et al., 1969; see also Franzen, 1962 [quoted in Suzuki and Wahlbeck, 1966].

References

Go To: Top, Constants of diatomic molecules, Notes

Clements and Barrow, 1969
Clements, R.M.; Barrow, R.F., Rotational analysis of bands of infra-red system of gaseous TiS, Trans. Faraday Soc., 1969, 65, 1163-1167. [all data]

Smoes, Coppens, et al., 1969
Smoes, S.; Coppens, P.; Bergman, C.; Drowart, J., Mass spectrometric determination of the dissociation energies of the gaseous rare earth monosulphides, Trans. Faraday Soc., 1969, 65, 682. [all data]

Franzen, 1962
Franzen, Thesis, University of Kansas, Kansas, 1962, 1. [all data]

Suzuki and Wahlbeck, 1966
Suzuki, A.; Wahlbeck, P.G., Vaporization study of the titanium-tellurium system, J. Phys. Chem., 1966, 70, 6, 1914-1923. [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.