Diboron dioxide
- Formula: B2O2
- Molecular weight: 53.621
- CAS Registry Number: 13766-28-4
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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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -456.06 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 242.60 | J/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 (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. - 1200. | 1200. - 6000. |
|---|---|---|
| A | 50.85150 | 83.92351 |
| B | 44.77800 | 1.800477 |
| C | -19.91191 | -0.351618 |
| D | 2.630574 | 0.023697 |
| E | -0.462081 | -7.940772 |
| F | -474.5869 | -499.4817 |
| G | 289.0491 | 319.4103 |
| H | -456.0560 | -456.0560 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1964 | Data last reviewed in December, 1964 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 13.9 ± 0.5 | EI | Asano and Kou, 1988 | LL |
| 13.37 ± 0.34 | EI | Bagarat'yan and Nikitin, 1979 | LLK |
| 14. ± 0.5 | EI | Blackburn, Buchler, et al., 1966 | RDSH |
| 13.61 | PE | Ruscic, Curtiss, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| B+ | 16.7 ± 0.5 | BO2 | EI | Asano and Kou, 1988 | LL |
| BO+ | 17.6 ± 0.5 | BO | EI | Asano and Kou, 1988 | LL |
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: 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, 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]
Asano and Kou, 1988
Asano, M.; Kou, T.,
Thermochemical properties of SrBO2(g) and SrB2O4(s),
J. Chem. Thermodyn., 1988, 20, 1149. [all data]
Bagarat'yan and Nikitin, 1979
Bagarat'yan, N.V.; Nikitin, O.T.,
Electron ionization of vapor over boron oxide,
Vestn. Mosk. Univ. Khim., 1979, 34, 539. [all data]
Blackburn, Buchler, et al., 1966
Blackburn, P.E.; Buchler, A.; Stauffer, J.L.,
Thermodynamics of vaporization in the aluminum oxideboron oxide system,
J. Phys. Chem., 1966, 70, 2469. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy 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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