ScO radical

Gas phase ion energetics data

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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: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.350 ± 0.020LPESWu and Wang, 1998 

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
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B 2Σ+ 20645.1 825.47 Z 4.21  [0.48308] 1 2 0.0032  [6.74E-7]  [1.71986] B ↔ 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 2Πr 16547.0 4 876.0 5 H 5.00  [0.50277] 6 (0.0037)  [6.54E-7]  [1.68585] A ↔ 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' 2Δr 15135.9 8 845.9 H 4.9        A' → X 9 R 15072.0 H
↳missing citation
15029.8          A' → X 9 R 14965.9 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 2Σ+ 13 0 [964.95] Z 4.20 H  [0.51343] 10 2 0.0033  [5.85E-7]  [1.66826] 11  

Notes

1Spin-splitting constant γ0 = (-)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.
6Λ-type doubling Δ vfe(2Π3/2, v=0) = - 0.0655(J+1/2) + ..., and in 2Π3/2 [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 2Σ 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, Gas phase ion energetics data, 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.

Wu and Wang, 1998
Wu, H.B.; Wang, L.S., Photoelectron spectroscopy and electronic structure of ScOn- (n = 1-4) and YOn- (n = 1-5): Strong electron correlation effects in ScO- and YO-, J. Phys. Chem. A, 1998, 102, 46, 9129-9135, https://doi.org/10.1021/jp982588q . [all data]

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 B2Σ and X2Σ 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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