s-Triazaborane

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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
Δfgas-510.03kJ/molReviewChase, 1998Data last reviewed in January, 1900
Quantity Value Units Method Reference Comment
gas,1 bar288.70J/mol*KReviewChase, 1998Data last reviewed in January, 1900

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. to 1200.1200. to 6000.
A -2.177701243.4071
B 443.483120.29144
C -307.0642-3.877760
D 82.919770.257307
E -0.720903-46.84992
F -528.9664-689.2136
G 162.7003439.0439
H -510.0296-510.0296
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in January, 1900 Data last reviewed in January, 1900

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)802.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity772.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.88PEBrundle, Robin, et al., 1972LLK
10.14 ± 0.01PELloyd and Lynaugh, 1971LLK
9.88 ± 0.02PELloyd and Lynaugh, 1970RDSH
10.01 ± 0.01PEFrost, Herring, et al., 1970RDSH
9.77EIKuznesof, Stafford, et al., 1967RDSH
10.09PEBock and Fuss, 1971Vertical value; LLK

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A., Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules, J. Am. Chem. Soc., 1972, 94, 1466. [all data]

Lloyd and Lynaugh, 1971
Lloyd, D.R.; Lynaugh, N., Photoelectron spectra of the symmetric trimethylborazines, Chem. Commun., 1971, 3, 125. [all data]

Lloyd and Lynaugh, 1970
Lloyd, D.R.; Lynaugh, N., Photoelectron studies of boron compounds. I. Diborane, borazine and B-trifluoroborazine, Phil. Trans. Roy. Soc. (London), 1970, A268, 97. [all data]

Frost, Herring, et al., 1970
Frost, D.C.; Herring, F.G.; McDowell, C.A.; Stenhouse, I.A., The ionization potentials of borazine by photoelectron spectrometry and INDO theory, Chem. Phys. Lett., 1970, 5, 291. [all data]

Kuznesof, Stafford, et al., 1967
Kuznesof, P.M.; Stafford, F.E.; Shriver, D.F., Electron impact ionization potentials of methyl-substituted borazines, J. Phys. Chem., 1967, 71, 1939. [all data]

Bock and Fuss, 1971
Bock, H.; Fuss, W., Arguments concerning the orbital sequence in borazin, Angew. Chem. Int. Ed. Engl., 1971, 10, 182. [all data]


Notes

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