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Diborane

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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
Deltafgas41.00kJ/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar233.17J/mol*KReviewChase, 1998Data last reviewed in December, 1964

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 -12.42167161.6275
B 267.611211.23329
C -152.2612-2.178187
D 33.158790.146029
E 0.300489-36.76757
F 35.09886-89.40873
G 146.5115320.5023
H 41.0030341.00303
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
15.3164.N/ADitter, Perrine, et al., 1961Based on data from 118. - 179. K.; AC
14.2180.CParidon, MacWood, et al., 1959AC
12.6210.CParidon, MacWood, et al., 1959AC
10.5240.CParidon, MacWood, et al., 1959AC
7.3270.CParidon, MacWood, et al., 1959AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
118.3 - 180.83.78156598.39-22.175Ditter, Perrine, et al., 1961, 2Coefficents calculated by NIST from author's data.

Reaction 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.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Hydrogen anion + Diborane = (Hydrogen anion bullet Diborane)

By formula: H- + H6B2 = (H- bullet H6B2)

Quantity Value Units Method Reference Comment
Deltar309.6kJ/molTherWorkman and Squires, 1988gas phase; Calculated from data on BH3..BH4-

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
L - Sharon G. Lias

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)11.38 ± 0.05eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)615.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity586.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
<=11.37 ± 0.05PIRuscic, Mayhew, et al., 1988LL
11.4PEAsbrink, Svensson, et al., 1981LLK
11.41 ± 0.02PELloyd and Lynaugh, 1970RDSH
11.38 ± 0.01PEBrundle, Robin, et al., 1970RDSH
20.2 ± 0.1PEBrundle, Robin, et al., 1970RDSH
11.37 ± 0.01PERose, Frey, et al., ibid.RDSH
11.9PEAsbrink, Svensson, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
B+18.39 ± 0.02?EIWilson and McGee, 1967RDSH
BH+16.4 ± 0.3?EIWilson and McGee, 1967RDSH
BH2+<=14.840 ± 0.017BH3+HPIRuscic, Mayhew, et al., 1988LL
BH2+15.5 ± 0.05?EIWilson and McGee, 1967RDSH
BH2+13.4 ± 0.1?EIKoski, Kaufman, et al., 1958RDSH
BH2+13.5 ± 0.5?EIMargrave, 1957RDSH
BH3+<=14.31BH3PIRuscic, Mayhew, et al., 1988LL
BH3+14.88 ± 0.05BH3?EIWilson and McGee, 1967RDSH
BH3+13.1 ± 0.2BH3?EIKoski, Kaufman, et al., 1958RDSH
BH3+12.1 ± 0.2BH3?EIMargrave, 1957RDSH
B2+21.1 ± 0.23H2EIKoski, Kaufman, et al., 1958RDSH
B2+26.3 ± 0.5?EIMargrave, 1957RDSH
B2H+21.4 ± 0.52H2+HEIMargrave, 1957RDSH
B2H2+<=13.252H2PIRuscic, Mayhew, et al., 1988LL
B2H2+14.1 ± 0.22H2EIFehlner and Koski, 1964RDSH
B2H2+13.8 ± 0.12H2EIKoski, Kaufman, et al., 1958RDSH
B2H2+13.8 ± 0.22H2EIMargrave, 1957RDSH
B2H3+<=14.15H2+HPIRuscic, Mayhew, et al., 1988LL
B2H3+14.3 ± 0.2H2+HEIFehlner and Koski, 1964RDSH
B2H3+14.2 ± 0.1H2+HEIKoski, Kaufman, et al., 1958RDSH
B2H3+14.8 ± 0.5H2+HEIMargrave, 1957RDSH
B2H4+<=11.75H2PIRuscic, Mayhew, et al., 1988LL
B2H4+12.3 ± 0.2H2EIFehlner and Koski, 1964RDSH
B2H4+12.3 ± 0.1H2EIKoski, Kaufman, et al., 1958RDSH
B2H4+12.4 ± 0.3H2EIMargrave, 1957RDSH
B2H5+<=11.40 ± 0.05HPIRuscic, Mayhew, et al., 1988LL
B2H5+11.8 ± 0.1HEIWilson and McGee, 1967RDSH
B2H5+12.0 ± 0.1HEIFehlner and Koski, 1964RDSH
B2H5+11.9 ± 0.1HEIKoski, Kaufman, et al., 1958RDSH
B2H5+12.0 ± 0.3HEIMargrave, 1957RDSH

Ion clustering 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Hydrogen anion + Diborane = (Hydrogen anion bullet Diborane)

By formula: H- + H6B2 = (H- bullet H6B2)

Quantity Value Units Method Reference Comment
Deltar309.6kJ/molTherWorkman and Squires, 1988gas phase; Calculated from data on BH3..BH4-

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin API 0333
NIST MS number 20

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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]

Ditter, Perrine, et al., 1961
Ditter, J.F.; Perrine, J.C.; Shapiro, Isadore, Vapor Pressure of Deuterodiborane., J. Chem. Eng. Data, 1961, 6, 2, 271-271, https://doi.org/10.1021/je60010a026 . [all data]

Paridon, MacWood, et al., 1959
Paridon, Leo J.; MacWood, George E.; Hu, Jih-Heng, The Heat of Vaporization of Diborane, J. Phys. Chem., 1959, 63, 12, 1998-1999, https://doi.org/10.1021/j150582a004 . [all data]

Ditter, Perrine, et al., 1961, 2
Ditter, J.F.; Perrine, J.C.; Shapiro, I., Vapor Pressure of Deuterodiborane, J. Chem. Eng. Data, 1961, 6, 2, 271, https://doi.org/10.1021/je60010a026 . [all data]

Workman and Squires, 1988
Workman, D.B.; Squires, R.R., Hydride Binding Energies of Boranes, Inorg. Chem., 1988, 27, 11, 1846, https://doi.org/10.1021/ic00284a003 . [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]

Ruscic, Mayhew, et al., 1988
Ruscic, B.; Mayhew, C.A.; Berkowitz, J., Photoionization studies of (BH3)n(n=1,2), J. Chem. Phys., 1988, 88, 5580. [all data]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [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]

Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H.; Pinsky, M.; Bond, A., Experimental and theoretical comparison of the electronic structures of ethylene and diborane, J. Am. Chem. Soc., 1970, 92, 3863. [all data]

Rose, Frey, et al., ibid.
Rose, T.; Frey, R.; Brehm, B., The electronic states of the diborane ion determined by photoelectron spectroscopy, Chem. Commun. 1969,,1518; Erratum,, ibid., 1970, ,460. [all data]

Wilson and McGee, 1967
Wilson, J.H.; McGee, H.A., Jr., Mass-spectrometric studies of the synthesis, energetics, and cryogenic stability of the lower boron hydrides, J. Chem. Phys., 1967, 46, 1444. [all data]

Koski, Kaufman, et al., 1958
Koski, W.S.; Kaufman, J.J.; Pachucki, C.F.; Shipko, F.J., A mass spectrometric appearance potential study of isotopically labeled diboranes, J. Am. Chem. Soc., 1958, 80, 3202. [all data]

Margrave, 1957
Margrave, J.L., A mass spectrometric appearance potential study of diborane, J. Phys. Chem., 1957, 61, 38. [all data]

Fehlner and Koski, 1964
Fehlner, T.P.; Koski, W.S., The fragmentation of some boron hydrides by electron impact, J. Am. Chem. Soc., 1964, 86, 581. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, References