Boron hydride sulfide

Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
ΔfH°gas50.21kJ/molReviewChase, 1998Data last reviewed in December, 1975
Quantity Value Units Method Reference Comment
S°gas,1 bar214.96J/mol*KReviewChase, 1998Data 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 (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 26.1249855.12880
B 55.531305.081761
C -38.30686-1.465188
D 10.453260.161076
E -0.247438-5.727645
F 39.4366720.50223
G 230.2355262.9849
H 50.2080050.20800
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1975 Data last reviewed in December, 1975

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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
11.10 ± 0.05PESuffolk, Cooper, et al., 1988LL
11.11 ± 0.03PEKroto, Suffolk, et al., 1973LLK
11.12PEFehlner and Turner, 1973LLK
11.21 ± 0.05PESuffolk, Cooper, et al., 1988Vertical value; LL

Vibrational and/or electronic energy levels

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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: 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

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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]

Suffolk, Cooper, et al., 1988
Suffolk, R.J.; Cooper, T.A.; Pantelides, E.; Watts, J.D.; Kroto, H.W., Photoelectron spectra of sulphidoborons XBS where X = H, F, Cl, or Br, J. Chem. Soc. Dalton Trans., 1988, 2041. [all data]

Kroto, Suffolk, et al., 1973
Kroto, H.W.; Suffolk, R.J.; Westwood, N.P.C., The photoelectron spectrum of thioborine, HBS, Chem. Phys. Lett., 1973, 22, 495. [all data]

Fehlner and Turner, 1973
Fehlner, T.P.; Turner, D.W., Photoelectron spectrum of HBS, J. Am. Chem. Soc., 1973, 95, 7175. [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

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