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BO+

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 June, 1976

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 11B16O+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
b 1Sigma (27941) (1952)   [1.8202]   [0.00000633]  [1.1917] b rarrow a V 28023.99 Z
↳Kataev and Mal'tsev, 1967
a 1Sigma (0) (1787)   [1.7799]   [0.00000706]  [1.2052]  

Notes

1Thermochemical value (mass-spectrom.) Coppens, Smoes, et al., 1968, Uy and Drowart, 1970; in good agreement with 8.3 eV by flame photometry De Galan, 1965.
2A= (+)46.4.
3R2 head at 55084.2 cm-1.
4Spin splitting constant gamma ~ +0.025 Lagerqvist, Nilsson, et al., 1958, Dunn and Hanson, 1969.
5Potential curves Singh and Rai, 1965.
6Franck-Condon factors Nicholls, Fraser, et al., 1959.
7Franck-Condon factors Nicholls, Fraser, et al., 1959, Robinson and Nicholls, 1960, Liszt and Smith, 1971; measured relative intensities Robinson and Nicholls, 1960.
8A0= -122.26 Dunn and Hanson, 1969 (slight J dependence); A1 = -122.36 Jenkins and McKellar, 1932.
9Lambda-type doubling Deltanufe (2Pi1/2) ~ +0.025(J+1/2) - ... Jenkins and McKellar, 1932, Dunn and Hanson, 1969; for 2Pi3/2 see Jenkins and McKellar, 1932.
10Franck-Condon factors Nicholls, Fraser, et al., 1959, Nicholls, Fraser, et al., 1960, Robinson and Nicholls, 1960, Liszt and Smith, 1971; measured relative Robinson and Nicholls, 1960 and estimated absolute Kuz'menko, Kuznetsova, et al., 1974 intensities.
11{J'=0} relative to N"=0.
12From Lagerqvist, Nilsson, et al., 1958; slightly different constants in Jenkins and McKellar, 1932. Spin splitting constant gamma(v=2) = +0.0065 Dunn and Hanson, 1969.
13In rare gas matrices at 4 K Knight, Easley, et al., 1971.
14From the heat of formation for BO- Srivastava, Uy, et al., 1971.

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.

Kataev and Mal'tsev, 1967
Kataev, D.I.; Mal'tsev, A.A., An analysis of the rotational structure of the 3577 Å band of the BO+ ion, Moscow Univ. Chem. Bull. Engl. Transl., 1967, 22, 16, In original 23. [all data]

Coppens, Smoes, et al., 1968
Coppens, P.; Smoes, S.; Drowart, J., Mass spectrometric determination of the dissociation energy of the molecule BO, Trans. Faraday Soc., 1968, 64, 630. [all data]

Uy and Drowart, 1970
Uy, O.M.; Drowart, J., Mass spectrometric determination of the dissociation energies of the boron monochalcogenides, High Temp. Sci., 1970, 2, 293. [all data]

De Galan, 1965
De Galan, L., An experimental value for the dissociation energy of boron oxide, Physica (Amsterdam), 1965, 31, 1286. [all data]

Lagerqvist, Nilsson, et al., 1958
Lagerqvist, A.; Nilsson, N.E.L.; Wigartz, K., Rotational analysis of the «beta»-system of BO, Ark. Fys., 1958, 13, 379. [all data]

Dunn and Hanson, 1969
Dunn, T.M.; Hanson, L.K., Rotational analysis of the 0,2 band of the 11BO «alpha» system, Can. J. Phys., 1969, 47, 1657. [all data]

Singh and Rai, 1965
Singh, R.B.; Rai, D.K., Internuclear potential curves for BO, IO and ClO, J. Quant. Spectrosc. Radiat. Transfer, 1965, 5, 723. [all data]

Nicholls, Fraser, et al., 1959
Nicholls, R.W.; Fraser, P.A.; Jarmain, W.R., Transition probability parameters of molecular spectra arising from combustion processes, Combust. Flame, 1959, 3, 13. [all data]

Robinson and Nicholls, 1960
Robinson, D.; Nicholls, R.W., Intensity measurements on the CO+ comet tail, and the BO «alpha» and «beta» molecular band systems, Proc. Phys. Soc. London, 1960, 75, 817. [all data]

Liszt and Smith, 1971
Liszt, H.S.; Smith, Wm.H., RKR Franck-Condon factors for blue and ultraviolet transitions of some metal oxides, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 1043. [all data]

Jenkins and McKellar, 1932
Jenkins, F.A.; McKellar, A., Mass ratio of the boron isotopes from the spectrum of BO, Phys. Rev., 1932, 42, 464. [all data]

Nicholls, Fraser, et al., 1960
Nicholls, R.W.; Fraser, P.A.; Jarmain, W.R.; McEachran, R.P., Vibrational transition probabilities of diatomic molecules: collected results. IV. BeO, BO, CH+, CO, NO, SH, O2, O2+, Astrophys. J., 1960, 131, 399. [all data]

Kuz'menko, Kuznetsova, et al., 1974
Kuz'menko, N.E.; Kuznetsova, L.A.; Kuzyakov, Yu.Ya.; Chuev, B.N., Determination of the square of the matrix element for the dipole moment of the electronic transition A2«PI»-X2«SIGMA» of the BO molecule, J. Appl. Spectrosc. Engl. Transl., 1974, 20, 373, In original 491. [all data]

Knight, Easley, et al., 1971
Knight, L.B., Jr.; Easley, W.C.; Weltner, W., Jr., ESR of the BO molecule in inert matrices: a case of extreme preferential orientation, J. Chem. Phys., 1971, 54, 1610. [all data]

Srivastava, Uy, et al., 1971
Srivastava, R.D.; Uy, O.M.; Farber, M., Effusion mass spectrometric study of thermodynamic properties of BO- and BO2-, J. Chem. Soc. Faraday Trans., 1971, 67, 2941. [all data]

Notes

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