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Boron sulfide


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 11B32S
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
G 2Sigma     [0.6148] 1   [8.9E-7]  [1.8298] G rarrow F V 19506.94 Z
missing citation
           G rarrow F V 19829.62 Z
missing citation
F 2Pii 2    [0.5782] 3   [8.1E-7]  [1.8886]  
     [0.576]       
D 2Deltai (48078) 4 (676) 5   [0.6032]   [2.5E-6]  [1.8494] D rarrow A R 31830.74 Z
missing citation
(47724)    [0.6005]      D rarrow A R 31810.39 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 2Pir 39041.2 892.64 H 6.74  [0.7052] 6 7    [1.7118] C rarrow X R 38897.28 Z
missing citation
38925.8    [0.6998] 6 7     C rarrow X R 38781.93 Z
missing citation
B 2Sigma+ 36223.4 770 H 4.0  [0.6311] 8   [0.00000153]  1.8060 B rarrow A V 20022.84 Z
missing citation; Koryazhkin and Mal'tsev, 1968; missing citation
36223.4 770 H 4.0  [0.6311] 8   [0.00000153]  1.8060 B rarrow A V 20354.99 Z
missing citation; Koryazhkin and Mal'tsev, 1968; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Pii 15876          A rarrow X R 16002.2 H
missing citation; Singh, Tewari, et al., 1971
16209.7 9 753.61 H 4.67  [0.6209] 10 0.0059 11  [0.00000169]  1.8182 R 15996.8 H
missing citation; Singh, Tewari, et al., 1971
     [0.6185]      R 15668.5 H
missing citation; Singh, Tewari, et al., 1971
           R 15663.1 H
missing citation; Singh, Tewari, et al., 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 2Sigma+ 0 1180.17 H 6.31 12 -0.004 0.79489 13 0.00605 11  [1.40E-6]  1.6092 14  
Ball and Thomson, 1975

Notes

1Spin-splitting constant gamma0 = +0.0245.
2A0 = -321.53.
3|Deltanufe|= 0.0197(J+1/2).
4A0 = -175.05.
5Estimated from the observed isotope shift for the 0-0 band.
6Deltanufe ~ +0.01(J+1/2).
7v=1 of C 2Pir interacts with v=5 of B 2Sigma+ and with an unidentified state; see McDonald and Innes, 1969.
8Spin splitting constant gamma0 = -0.0901.
9A0 = -330.91 (from BrarrowA).
10Deltanufe = +0.0176(J+1/2).
11Perturbations between higher levels of A 2Pii and of X 2Sigma+; see McDonald and Innes, 1969.
12missing note
13Spin splitting constant gamma= +0.013 Brom and Weltner, 1972.
14ESR sp. 16 ab initio calc.
15Thermochemical value (mass-spectrom.) Uy and Drowart, 1970. Different values suggested by Gingerich, 1970.
16In inert matrices (Ne, Ar) at 4 K Brom and Weltner, 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.

Koryazhkin and Mal'tsev, 1968
Koryazhkin, V.A.; Mal'tsev, A.A., Nature of the blue-green system of bands in the spectrum of the BS molecule, Moscow Univ. Chem. Bull. Engl. Transl., 1968, 23, 63, In original 92. [all data]

Singh, Tewari, et al., 1971
Singh, J.; Tewari, D.P.; Mohan, H., Thermally excited emission spectrum of gaseous boron monosulphide, Indian J. Pure Appl. Phys., 1971, 9, 269. [all data]

Ball and Thomson, 1975
Ball, J.R.; Thomson, C., The electronic structure of 2«SIGMA»+ boron monosulphide. Comparison of GTO and STO basis sets in near Hartree-Fock calculations of the energy, dipole moment, and isotropic hyperfine coupling constants, Chem. Phys. Lett., 1975, 36, 6. [all data]

McDonald and Innes, 1969
McDonald, J.K.; Innes, K.K., 2«DELTA»i-A2«PI»i and two 2«SIGMA»+-2«PI»i band systems of the boron monosulfide molecule, J. Mol. Spectrosc., 1969, 29, 1-3, 251, https://doi.org/10.1016/0022-2852(69)90106-4 . [all data]

Brom and Weltner, 1972
Brom, J.M., Jr.; Weltner, W., Jr., ESR of the BS molecule in inert matrices at 4°K, J. Chem. Phys., 1972, 57, 3379. [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]

Gingerich, 1970
Gingerich, K.A., Mass-spectrometric determination of the bond energies of the molecules AuS, BS, and BS2, Chem. Commun., 1970, 580. [all data]


Notes

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