Diboron dioxide
- Formula: B2O2
- Molecular weight: 53.621
- CAS Registry Number: 13766-28-4
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Gas phase thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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 | -109.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.983 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1964 |
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 1200. | 1200. to 6000. |
|---|---|---|
| A | 12.15380 | 20.05820 |
| B | 10.70220 | 0.430324 |
| C | -4.759061 | -0.084039 |
| D | 0.628722 | 0.005664 |
| E | -0.110440 | -1.897891 |
| F | -113.4290 | -119.3790 |
| G | 69.08439 | 76.34089 |
| H | -109.0000 | -109.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1964 | Data last reviewed in December, 1964 |
Vibrational and/or electronic energy levels
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 by: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| Σu+ | 3 | BO stretch | 1898.9 | Ar | IR | Sekachev, Serebrennikov, et al., 1979 Serebrennikov, 1981 Burkholder and Andrews, 1991 | |
| 3 | BO stretch | 1894.6 | Kr | IR | Burkholder and Andrews, 1991 | ||
| Πu | 5 | Bend | 213 | Ar | IR | Sekachev, Serebrennikov, et al., 1979 Serebrennikov, 1981 | |
Additional references: Jacox, 1994, page 184; Ruscic, Curtiss, et al., 1984
References
Go To: Top, Gas phase thermochemistry 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]
Sekachev, Serebrennikov, et al., 1979
Sekachev, Yu.N.; Serebrennikov, L.V.; Mal'tsev, A.A.,
Vestnik Mosk. Univ. Khim., 1979, 20, 589. [all data]
Serebrennikov, 1981
Serebrennikov, L.V.,
Vestnik. Mosk. Univ. Khim., 1981, 22, 606. [all data]
Burkholder and Andrews, 1991
Burkholder, T.R.; Andrews, L.,
Reactions of boron atoms with molecular oxygen. Infrared spectra of BO, BO2, B2O2, B2O3, and BO-2 in solid argon,
J. Chem. Phys., 1991, 95, 12, 8697, https://doi.org/10.1063/1.461814
. [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]
Ruscic, Curtiss, et al., 1984
Ruscic, B.M.; Curtiss, L.A.; Berkowitz, J.,
Photoelectron spectrum and structure of B2O2,
J. Chem. Phys., 1984, 80, 3962. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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