Boron hydride sulfide
- Formula: BHS
- Molecular weight: 43.884
- CAS Registry Number: 14457-85-3
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Gas phase thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 12.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 51.377 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1975 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 6.244021 | 13.17610 |
| B | 13.27230 | 1.214571 |
| C | -9.155560 | -0.350188 |
| D | 2.498390 | 0.038498 |
| E | -0.059139 | -1.368941 |
| F | 9.425591 | 4.900151 |
| G | 55.02761 | 62.85490 |
| H | 12.00000 | 12.00000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1975 | Data last reviewed in December, 1975 |
Vibrational and/or electronic energy levels
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: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σ+ | 1 | BH stretch | 2735.80 | gas | IR | Maki and Sams, 1975 | |
| 1 | BH stretch | 2724 | Ar | IR | Carpenter and Ault, 1992 | ||
| 3 | BS stretch | 1172.39 | gas | IR | Turner and Mills, 1982 | ||
| 3 | BS stretch | 1168 | Ar | IR | Carpenter and Ault, 1992 | ||
Additional references: Jacox, 1994, page 35; Pearson and McCormick, 1973; Bizzocchi, Degli Esposti, et al., 2002; Bizzocchi and Degli Esposti, 2007; Bizzocchi, Degli Esposti, et al., 2008
References
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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]
Maki and Sams, 1975
Maki, A.G.; Sams, R.L.,
High-resolution infrared measurements of v1 and force field calculations for thioborine (HBS),
J. Mol. Struct., 1975, 26, 1, 107, https://doi.org/10.1016/0022-2860(75)80071-8
. [all data]
Carpenter and Ault, 1992
Carpenter, J.D.; Ault, B.S.,
Matrix isolation study of the reaction of diborane with hydrogen sulfide: spectroscopic characterization of mercaptoborane, H2BSH,
J. Phys. Chem., 1992, 96, 20, 7913, https://doi.org/10.1021/j100199a018
. [all data]
Turner and Mills, 1982
Turner, P.; Mills, I.M.,
The infrared spectrum, equilibrium structure and harmonic and anharmonic force field of thioborine, HBS,
Mol. Phys., 1982, 46, 1, 161, https://doi.org/10.1080/00268978200101151
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Pearson and McCormick, 1973
Pearson, E.F.; McCormick, V.,
Rotational spectrum and structure of thioborine: HBS,
J. Chem. Phys., 1973, 58, 4, 1619, https://doi.org/10.1063/1.1679403
. [all data]
Bizzocchi, Degli Esposti, et al., 2002
Bizzocchi, L.; Degli Esposti, C.; Dore, L.,
Rotational Spectroscopy of HB33S: The Quadrupole Coupling Constant of 33S in Thioborine,
J. Mol. Spectrosc., 2002, 215, 2, 228, https://doi.org/10.1006/jmsp.2002.8649
. [all data]
Bizzocchi and Degli Esposti, 2007
Bizzocchi, L.; Degli Esposti, C.,
Millimeter- and submillimeter-wave spectroscopy of HBS and DBS in vibrationally excited states,
J. Mol. Spectrosc., 2007, 241, 1, 67, https://doi.org/10.1016/j.jms.2006.11.002
. [all data]
Bizzocchi, Degli Esposti, et al., 2008
Bizzocchi, L.; Degli Esposti, D.; Dore, L.,
Sub-Doppler millimetre-wave spectroscopy of DBS and HBS: accurate values of nuclear electric and magnetic hyperfine structure constants,
Phys. Chem. Chem. Phys., 2008, 10, 5, 658, https://doi.org/10.1039/b710356e
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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