dichloroborane

• Formula: BCl₂H
• Molecular weight: 82.725
• IUPAC Standard InChI: InChI=1S/BCl2H/c2-1-3/h1H Copy

  
• IUPAC Standard InChIKey: LHCGBIFHSCCRRG-UHFFFAOYSA-N Copy
• CAS Registry Number: 10325-39-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Borane, dichloro-
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

De-protonation reactions

BCl₂^- +  =

By formula: BCl₂^- + H⁺ = HBCl₂

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

Additional references: Jacox, 1998, page 238; Sugie, Takeo, et al., 1994

Notes

References

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

Frost, Kirby, et al., 1981
Frost, D.C.; Kirby, C.; McDowell, C.A.; Westwood, N.P.C., Preparation and HeI photoelectron spectra of the dihaloboranes, HBX2 (X = Cl and Br), J. Am. Chem. Soc., 1981, 103, 4428. [all data]

Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A., JANAF Thermochemical Tables 1982 Supplement, J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666 . [all data]

Baeck, Choi, et al., 1999
Baeck, K.K.; Choi, H.; Iwata, S., Theoretical study on spectroscopic properties of positive, neutral, and negative species of BCl2 and AlCl2: The stability of the negative species, J. Phys. Chem. A, 1999, 103, 34, 6772-6777, https://doi.org/10.1021/jp991072j . [all data]

Lynds and Stern, 1959
Lynds, L.; Stern, D.R., None, J. Am. Chem. Soc., 1959, 81, 18, 5006, https://doi.org/10.1021/ja01527a070 . [all data]

Nadeau and Oaks, 1960
Nadeau, H.G.; Oaks, D.M., Jr., Infrared Spectrophotometric Determination of Diborane (6), Dichloroborane, and Trichloroborane in Mixtures, Analyt. Chem., 1960, 32, 11, 1480, https://doi.org/10.1021/ac60167a030 . [all data]

Myers and Putnam, 1963
Myers, H.W.; Putnam, R.F., On the Properties of Monochlorodiborane, Inorg. Chem., 1963, 2, 3, 655, https://doi.org/10.1021/ic50007a067 . [all data]

Lynds and Bass, 1964
Lynds, L.; Bass, C.D., Infrared Spectrum of ν2 of Dichloroborane and Dichloroborane-d, J. Chem. Phys., 1964, 40, 6, 1590, https://doi.org/10.1063/1.1725365 . [all data]

Bass, Lynds, et al., 1964
Bass, C.D.; Lynds, L.; Wolfram, T.; DeWames, R.E., Matrix Isolation Spectra of HBCl2 and DBCl2, Inorg. Chem., 1964, 3, 7, 1063, https://doi.org/10.1021/ic50017a047 . [all data]

Bass, Lynds, et al., 1964, 2
Bass, C.D.; Lynds, L.; Wolfram, T.; DeWames, R.E., Vibrational Analysis of Substituted and Perturbed Molecules. II. Planar XY3 Molecules; Application to BCl3[Single Bond]HBCl2[Single Bond]DBCl2, J. Chem. Phys., 1964, 40, 12, 3611, https://doi.org/10.1063/1.1725062 . [all data]

Miller and Andrews, 1980
Miller, J.H.; Andrews, L., Matrix photoionization and radiolysis of boron trihalides. Infrared and ultraviolet spectra of boron trichloride(1+) and boron tribromide(1+) and infrared spectra of boron dichloride and boron dibromide, J. Am. Chem. Soc., 1980, 102, 15, 4900, https://doi.org/10.1021/ja00535a011 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Sugie, Takeo, et al., 1994
Sugie, M.; Takeo, H.; Matsumura, C., Spectrochim. Acta, 1994, 50A, 1379. [all data]

Notes

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• 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
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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