Dichloroboron
- Formula: BCl2
- Molecular weight: 81.717
- IUPAC Standard InChI: InChI=1S/BCl2H/c2-1-3/h1H
- IUPAC Standard InChIKey: LHCGBIFHSCCRRG-UHFFFAOYSA-N
- CAS Registry Number: 13842-52-9
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -19.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1972 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 65.151 | cal/mol*K | Review | Chase, 1998 | Data 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 (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. to 6000. |
|---|---|
| A | 13.53200 |
| B | 0.131367 |
| C | 0.042824 |
| D | -0.004218 |
| E | -0.208591 |
| F | -23.73990 |
| G | 80.31200 |
| H | -19.00000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1972 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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 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 ± 1.0 | Chase Jr., Curnutt, et al., 1982 | Est: 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 |
|---|---|---|---|
| 7.8 | DER | Lias, Bartmess, et al., 1988 | LL |
| 12. ± 1.0 | EI | Srivastava and Farber, 1971 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- 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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