Dichloroboron

• Formula: BCl₂
• Molecular weight: 81.717
• IUPAC Standard InChI: InChI=1S/BCl2H/c2-1-3/h1H Copy

  
• IUPAC Standard InChIKey: LHCGBIFHSCCRRG-UHFFFAOYSA-N Copy
• CAS Registry Number: 13842-52-9
• 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.
• Species with the same structure:
  • dichloroborane
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to BCl₂⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

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:   ?

State:   B

State:   A

State:   X

Additional references: Jacox, 1994, page 89; Jacox, 1998, page 192; Jacox, 2003, page 133

Notes

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

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]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Srivastava and Farber, 1971
Srivastava, R.D.; Farber, M., Thermodynamic properties of the B-Cl-F system from mass spectrometer investigations, J. Chem. Soc. Faraday Trans., 1971, 67, 2298. [all data]

Lee, Han, et al., 1989
Lee, L.C.; Han, J.C.; Suto, M., Fluorescence from photoexcitation of BCl3 at 45--106 nm, J. Chem. Phys., 1989, 91, 4, 2036, https://doi.org/10.1063/1.457063 . [all data]

Creasey, Hatherly, et al., 1993
Creasey, J.C.; Hatherly, P.A.; Lambert, I.R.; Tuckett, R.P., Vacuum UV fluorescence excitation spectroscopy of BCl, Mol. Phys., 1993, 79, 2, 413, https://doi.org/10.1080/00268979300101311 . [all data]

Biehl, Creasey, et al., 1995
Biehl, H.; Creasey, J.C.; Smith, D.M.; Tuckett, R.P.; Yoxall, K.R.; Baumgartel, H.; Jochims, H.W.; Rockland, U., J. Chem. Soc., 1995, Faraday Trans. 91, 3073. [all data]

Boyle, Seccomb, et al., 1999
Boyle, K.J.; Seccomb, D.P.; Tuckett, R.P.; Baumgartel, H.; Jochims, H.W., Vacuum-UV fluorescence spectroscopy of BF, J. Phys. B: At. Mol. Opt. Phys., 1999, 32, 11, 2569, https://doi.org/10.1088/0953-4075/32/11/308 . [all data]

Dessaux, Goudmand, et al., 1967
Dessaux, O.; Goudmand, P.; Pannetier, G., Compt. Rend. Acad. Sci. Paris C, 1967, 265, 480. [all data]

Dessaux, Goudmand, et al.
Dessaux, O.; Goudmand, P.; Pannetier, G., Bull. Soc. Chim. Fr. 1969, 447. [all data]

Suto, Ye, et al., 1988
Suto, M.; Ye, C.; Han, J.C.; Lee, L.C., Quantitative absorption and fluorescence spectroscopy of BCl3 in vacuum ultraviolet, J. Chem. Phys., 1988, 89, 11, 6653, https://doi.org/10.1063/1.455387 . [all data]

Tokue, Kudo, et al., 1992
Tokue, I.; Kudo, M.; Kusakabe, M.; Honda, T.; Ito, Y., Emission cross sections of excited fragments produced by electron impact on BCl3, J. Chem. Phys., 1992, 96, 12, 8889, https://doi.org/10.1063/1.462246 . [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, Irikura, et al., 1996
Jacox, M.E.; Irikura, K.K.; Thompson, W.E., Matrix isolation study of the interaction of excited neon atoms with BCl3: Infrared spectra of BCl+3, BCl+2, and BCl-3, J. Chem. Phys., 1996, 104, 22, 8871, https://doi.org/10.1063/1.471622 . [all data]

Hassanzadeh and Andrews, 1993
Hassanzadeh, P.; Andrews, L., Reaction of halogens with laser-ablated boron: infrared spectra of BXn (X = F, Cl, Br, I; n = 1, 2, 3) in solid argon, J. Phys. Chem., 1993, 97, 19, 4910, https://doi.org/10.1021/j100121a008 . [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]

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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  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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