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dichloroborane


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-59.300kcal/molReviewChase, 1998Data last reviewed in March, 1966
Quantity Value Units Method Reference Comment
gas,1 bar64.116cal/mol*KReviewChase, 1998Data last reviewed in March, 1966

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

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Temperature (K) 298. - 1200.1200. - 6000.
A 7.85903018.85290
B 21.210200.535331
C -16.00730-0.103494
D 4.5714300.006924
E -0.090950-1.846141
F -62.75930-69.32299
G 67.4629180.83719
H -59.30000-59.30000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1966 Data last reviewed in March, 1966

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

BCl2- + Hydrogen cation = dichloroborane

By formula: BCl2- + H+ = HBCl2

Quantity Value Units Method Reference Comment
Deltar402. ± 24.kcal/molAcidChase Jr., Curnutt, et al., 1982gas phase; Est: from IP,EA of isoelectronic NO2, BF2, AlF2. Calc G2: 1.47 eV Baeck, Choi, et al., 1999

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

IE (eV) Method Reference Comment
11.91 ± 0.02PEFrost, Kirby, et al., 1981LLK

De-protonation reactions

BCl2- + Hydrogen cation = dichloroborane

By formula: BCl2- + H+ = HBCl2

Quantity Value Units Method Reference Comment
Deltar402. ± 24.kcal/molAcidChase Jr., Curnutt, et al., 1982gas phase; Est: from IP,EA of isoelectronic NO2, BF2, AlF2. Calc G2: 1.47 eV Baeck, Choi, et al., 1999; B

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


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

a1 1 BH stretch 2616.9 w gas IR Lynds and Stern, 1959
Nadeau and Oaks, 1960
Myers and Putnam, 1963
Lynds and Bass, 1964
1 BH stretch 2625 Ar IR Bass, Lynds, et al., 1964
2 BCl2 s-stretch 740 T gas IR Bass, Lynds, et al., 1964, 2
b1 4 OPLA 784 T gas IR Bass, Lynds, et al., 1964, 2
4 OPLA 788 Ar IR Bass, Lynds, et al., 1964
b2 5 HBCl bend 1089 s gas IR Lynds and Stern, 1959
Nadeau and Oaks, 1960
Myers and Putnam, 1963
Bass, Lynds, et al., 1964, 2
5 HBCl bend 1082.5 Ar IR Bass, Lynds, et al., 1964
Miller and Andrews, 1980
6 BCl2 a-stretch 892 s gas IR Lynds and Stern, 1959
Nadeau and Oaks, 1960
Myers and Putnam, 1963
Bass, Lynds, et al., 1964, 2
6 BCl2 a-stretch 886.3 Ar IR Bass, Lynds, et al., 1964
Miller and Andrews, 1980

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

Notes

wWeak
sStrong
TTentative assignment or approximate value

References

Go To: Top, Gas phase thermochemistry data, Reaction 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]

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]

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 «nu»2 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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