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Boron sulfide


Gas phase thermochemistry data

Go To: Top, Constants of diatomic molecules, References, Notes

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

Quantity Value Units Method Reference Comment
Deltafgas243.09kJ/molReviewChase, 1998Data last reviewed in June, 1972
Quantity Value Units Method Reference Comment
gas,1 bar216.19J/mol*KReviewChase, 1998Data last reviewed in June, 1972

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 20.6470842.80860
B 35.09213-4.499181
C -28.110081.333052
D 8.149344-0.091548
E 0.108387-4.023493
F 235.9705221.7495
G 232.4999258.0804
H 243.0904243.0904
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1972 Data last reviewed in June, 1972

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, References, Notes

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, Gas phase thermochemistry 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References