Titanium monosulfide

Formula: STi
Molecular weight: 79.932
CAS Registry Number: 12039-07-5
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Gas phase ion energetics data

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
7.1 ± 0.3	EI	Edwards, Franzen, et al., 1971	LLK

Constants of diatomic molecules

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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

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Edwards, Franzen, et al., 1971
Edwards, J.G.; Franzen, H.F.; Gilles, P.W., High-temperature mass spectrometry, vaporization, and thermodynamics of titanium monosulfide, J. Chem. Phys., 1971, 54, 545. [all data]

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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