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ScO radical


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 45Sc16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Sigma+ 20645.1 825.47 Z 4.21  [0.48308] 1 2 0.0032  [6.74E-7]  [1.71986] B lrarrow X 3 R 20571.15 Z
Johnson and Johnson, 1931; Meggers and Wheeler, 1931; Jevons, 1932; missing citation; missing citation; missing citation; missing citation; Ortenberg, Glasko, et al., 1964; Weltner, McLeod, et al., 1967; missing citation
A 2Pir 16547.0 4 876.0 5 H 5.00  [0.50277] 6 (0.0037)  [6.54E-7]  [1.68585] A lrarrow X 3 R 16498.13 7 Z
Johnson and Johnson, 1931; missing citation; Jevons, 1932; missing citation; missing citation; missing citation; missing citation; Ortenberg, Glasko, et al., 1964; Weltner, McLeod, et al., 1967; Athenour, Bacis, et al., 1970; missing citation
A' 2Deltar 15135.9 8 845.9 H 4.9        A' rarrow X 9 R 15072.0 H
missing citation
15029.8          A' rarrow X 9 R 14965.9 H
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 2Sigma+ 13 0 [964.95] Z 4.20 H  [0.51343] 10 2 0.0033  [5.85E-7]  [1.66826] 11  

Notes

1Spin-splitting constant gamma0 = (-)0.0670.
2Potential energy curves Narasimhamurthy and Murthy, 1974.
3Intensity distribution Femenias, Athenour, et al., 1974, missing citation.
4A0 = +115.33; slight J dependence.
5Corrected for head-origin separations.
6Lambda-type doubling Delta vfe(2Pi3/2, v=0) = - 0.0655(J+1/2) + ..., and in 2Pi3/2 [see Stringat, Athenour, et al., 1972].
7J'= 1/2(average of F1 and {F2}) relative to N"=0. The subband origins ({J'=0} relative to N"=0) are at 16440.61 and 16554.83 cm-1.
8Te in good agreement with theoretical predictions Carlson, Ludena, et al., 1965, missing citation.
9Observed in the "single-collision" Sc + O2 chemiluminescence spectrum.
10Large magnetic hyperfine structure, 4b = +0.254 Adams, Klemperer, et al., 1968, Stringat, Athenour, et al., 1972 [see also Kasai and Weltner, 1965, Weltner, McLeod, et al., 1967].
11ESR s. 14
12Thermochemica1 value (mass-spectrometry). Ames, Walsh, et al., 1967, Coppens, Smoes, et al., 1967, Drowart, Pattoret, et al., 1967.
13The 2Sigma character of the ground state was theoretically predicted by Carlson, Ludena, et al., 1965 and experimentally verified by Kasai and Weltner, 1965, Weltner, McLeod, et al., 1967 [ESR spectrum and matrix absorption].
14In rare gas matrices Kasai and Weltner, 1965,104, McIntyre, Lin, et al., 1972.

References

Go To: Top, Constants of diatomic molecules, Notes

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

Johnson and Johnson, 1931
Johnson, L.W.; Johnson, R.C., The band spectrum of yttrium oxide (YO). With a note on the ScO and LaO systems, Proc. R. Soc. London A, 1931, 133, 207. [all data]

Meggers and Wheeler, 1931
Meggers, W.F.; Wheeler, J.A., The band spectra of scandium~, yttrium~, and lanthanum monoxides, J. Res. Nat. Bur. Stand. US, 1931, 6, 239. [all data]

Jevons, 1932
Jevons, W., Report on band-spectra of diatomic molecules, Pub. The Physical Society, The University Press, London, 1932, 0. [all data]

Ortenberg, Glasko, et al., 1964
Ortenberg, F.S.; Glasko, V.B.; Dmitriev, A.I., Vibrational transition probabilities for band systems of some diatomic oxides. II., Sov. Astron. Engl. Transl., 1964, 8, 258, In original 332. [all data]

Weltner, McLeod, et al., 1967
Weltner, W., Jr.; McLeod, D., Jr.; Kasai, P.H., ESR and optical spectroscopy of ScO, YO, and LaO in neon and argon matrices; establishment of their ground electronic states, J. Chem. Phys., 1967, 46, 3172. [all data]

Athenour, Bacis, et al., 1970
Athenour, C.; Bacis, R.; Femenias, J.-L.; Stringat, R., Sur le systeme orange de ScO excite a l'aide d'une lampe a cathode creuse, C.R. Acad. Sci. Paris, Ser. B, 1970, 271, 567. [all data]

Narasimhamurthy and Murthy, 1974
Narasimhamurthy, B.; Murthy, N.S., Potential energy curves for the B2«SIGMA» and X2«SIGMA» states of scandium monoxide, Pramana, 1974, 2, 269. [all data]

Femenias, Athenour, et al., 1974
Femenias, J.L.; Athenour, C.; Stringat, R., Theoretical calculations of relative intensities in hyperfine diatomic transitions, Can. J. Phys., 1974, 52, 361. [all data]

Stringat, Athenour, et al., 1972
Stringat, R.; Athenour, C.; Femenias, J.L., Analyse rotationnelle de la bande (0,0) du systeme orange de ScO, Can. J. Phys., 1972, 50, 395. [all data]

Carlson, Ludena, et al., 1965
Carlson, K.D.; Ludena, E.; Moser, C., Electronic ground state and wavefunctions for scandium monoxide, J. Chem. Phys., 1965, 43, 2408. [all data]

Adams, Klemperer, et al., 1968
Adams, A.; Klemperer, W.; Dunn, T.M., Rotational analysis of the blue-green system of scandium oxide, Can. J. Phys., 1968, 46, 2213. [all data]

Kasai and Weltner, 1965
Kasai, P.H.; Weltner, W., Jr., Ground states and hyperfine-structure separations of ScO, YO, and LaO from ESR spectra at 4°K, J. Chem. Phys., 1965, 43, 2553. [all data]

Ames, Walsh, et al., 1967
Ames, L.L.; Walsh, P.N.; White, D., Rare earths. IV. Dissocaition energies of the gaseous monoxides of the rare earths, J. Phys. Chem., 1967, 71, 2707. [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]

Drowart, Pattoret, et al., 1967
Drowart, J.; Pattoret, A.; Smoes, S., Mass spectrometric studies of the vaporization of refractory compounds, Proc. Br. Ceram. Soc., 1967, 8, 67. [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]


Notes

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