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Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Data collected through January, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 45Sc32S
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Sigma 12497.6 488.2 H 2.0        B rarrow X R 12459.0 H
Stringat and Fenot, 1976
A 2Pi 1           A rarrow X R (11150)
Stringat and Fenot, 1976
A 2Pi           A rarrow X R (11040)
Stringat and Fenot, 1976
X 2Sigma 0 565.2 2 H 1.8       3  

Notes

1Emission bands in the region 11000 - 12600 cm-1, v' numbering unknown. Progression of absorption bands in Ne matrix, 11100 - 12500 cm-1, tentatively attributed to ScS McIntyre, Lin, et al., 1972.
2IR spectrum in Ar matrix at 4 K gives DeltaG(1/2)=554 McIntyre, Lin, et al., 1972.
3ESR sp. 5
4Thermochemical value (mass spectrometry) Coppens, Smoes, et al., 1967; Tuenge, Laabs, et al., 1976 give a slightly lower value.
5In Ar matrix at 4 K McIntyre, Lin, et al., 1972.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stringat and Fenot, 1976
Stringat, R.; Fenot, B., Observation and vibrational study of the A2«PI»-X2«SIGMA» and B2«SIGMA»-X2«SIGMA» transitions of ScS, Can. J. Phys., 1976, 54, 2293. [all data]

McIntyre, Lin, et al., 1972
McIntyre, N.S.; Lin, K.C.; Weltner, W., Jr., ESR and optical spectra of the ScS and YS molecules, J. Chem. Phys., 1972, 56, 5576. [all data]

Coppens, Smoes, et al., 1967
Coppens, P.; Smoes, S.; Drowart, J., Mass spectrometric determination of the dissociation energies of the molecules GeS, ScS, YS, LaS, and CeS, Trans. Faraday Soc., 1967, 63, 2140. [all data]

Tuenge, Laabs, et al., 1976
Tuenge, R.T.; Laabs, F.; Franzen, H.F., The high temperature vaporization of defect scandium monosulfide, J. Chem. Phys., 1976, 65, 2400. [all data]


Notes

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