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Dichloroboron


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
Deltafgas-79.50kJ/molReviewChase, 1998Data last reviewed in June, 1972
Quantity Value Units Method Reference Comment
gas,1 bar272.59J/mol*KReviewChase, 1998Data last reviewed in June, 1972

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. - 6000.
A 56.61789
B 0.549640
C 0.179175
D -0.017647
E -0.872745
F -99.32774
G 336.0254
H -79.49600
ReferenceChase, 1998
Comment Data last reviewed in June, 1972

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

EA (eV) Reference Comment
0.6 ± 1.0Chase Jr., Curnutt, et al., 1982Est: from IP,EA of isoelectronic NO2, BF2, AlF2. Calc G2: 1.47 eV Baeck, Choi, et al., 1999; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.8DERLias, Bartmess, et al., 1988LL
12. ± 1.0EISrivastava and Farber, 1971LLK

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

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:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

gas 200 260 Lee, Han, et al., 1989

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

gas B,C-X 200 500 Creasey, Hatherly, et al., 1993
Biehl, Creasey, et al., 1995
Boyle, Seccomb, et al., 1999
gas 240 380 Dessaux, Goudmand, et al., 1967
Dessaux, Goudmand, et al.
Suto, Ye, et al., 1988
Lee, Han, et al., 1989
Tokue, Kudo, et al., 1992
gas 280 380 Suto, Ye, et al., 1988
Lee, Han, et al., 1989
Tokue, Kudo, et al., 1992

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

gas A-X 380 650 Suto, Ye, et al., 1988
Lee, Han, et al., 1989
Tokue, Kudo, et al., 1992
Creasey, Hatherly, et al., 1993

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 731 w Ar IR Miller and Andrews, 1980
b2 3 Asym. stretch 977.5 Ne IR Jacox, Irikura, et al., 1996
3 Asym. stretch 976.4 Ne IR Jacox, Irikura, et al., 1996
3 Asym. stretch 965.6 vs Ar IR Miller and Andrews, 1980
Hassanzadeh and Andrews, 1993

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

Notes

wWeak
vsVery strong

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]

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

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