Boron dioxide
- Formula: BO2
- Molecular weight: 42.810
- CAS Registry Number: 13840-88-5
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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 | -68.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.926 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1968 |
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 1100. | 1100. to 6000. |
|---|---|---|
| A | 5.911772 | 15.18720 |
| B | 19.41190 | -0.263641 |
| C | -16.41410 | 0.066504 |
| D | 5.028631 | -0.002432 |
| E | -0.002877 | -1.083110 |
| F | -70.50019 | -75.25229 |
| G | 56.96181 | 69.53540 |
| H | -68.00010 | -68.00010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1968 | Data last reviewed in June, 1968 |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
View reactions leading to BO2+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 4.460 ± 0.030 | LPES | Zhai, Wang, et al., 2007 | B |
| 4.32 ± 0.19 | R-A | Semenikin, Minaeva, et al., 1987 | Also BO2 neutral = -69.8±2.0 kcal/mol from TDEq.; value altered from reference due to conversion from electron convention to ion convention; B |
| 4.51 ± 0.21 | R-A | Sidorov, Rudnyi, et al., 1983 | value altered from reference due to conversion from electron convention to ion convention; B |
| 4.19 ± 0.31 | TDEq | Jensen, 1970 | B |
| 3.40 ± 0.50 | EIAE | Shevchenko, Iljin, et al., 1976 | From K2BO2F; B |
| 3.28 ± 0.13 | TDEq | Srivastava, Uy, et al., 1971 | EA(BO2) < EA(Cl) by 7.7 kcal, new ΔHf(BO2) and EA(Cl) used; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.7 ± 0.4 | DER | Bagarat'yan and Nikitin, 1979 | LLK |
| 14. ± 1. | EI | Bagarat'yan and Nikitin, 1979 | LLK |
| 14.0 ± 1.0 | EI | Uy, Srivastava, et al., 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]
Zhai, Wang, et al., 2007
Zhai, H.J.; Wang, L.M.; Li, S.D.; Wang, L.S.,
Vibrationally resolved photoelectron spectroscopy of BO- and BO2-: A joint experimental and theoretical study,
J. Phys. Chem. A, 2007, 111, 6, 1030-1035, https://doi.org/10.1021/jp0666939
. [all data]
Semenikin, Minaeva, et al., 1987
Semenikin, V.I.; Minaeva, I.I.; Sorokin, I.D.; Nikitin, M.I.; Rudnyi, E.B.; Sidorov, L.N.,
Mass Spectrometric Determination of the Enthalpy of Formation and Electron Affinity of BO2,
High Temp. Phys. (Engl.), 1987, 25, 497. [all data]
Sidorov, Rudnyi, et al., 1983
Sidorov, L.N.; Rudnyi, E.B.; Nikitin, M.I.; Sorokin, I.D.,
Gas Phase Anion Exchange Reactions and the Determination of the Heats of Formation of Metaphosphate (PO3-), metaborate (BO2-), and perrhennate (ReO4-),
Dokl. Akad. Nauk SSSR Ser. Khim., 1983, 272, 1172. [all data]
Jensen, 1970
Jensen, D.E.,
Electron Attachment and Compound Formation in Flames. II. Mass Spectrometry of Boron-Containing Flames,
J. Chem. Phys., 1970, 52, 6, 3305, https://doi.org/10.1063/1.1673481
. [all data]
Shevchenko, Iljin, et al., 1976
Shevchenko, V.E.; Iljin, M.K.; Nikitin, O.T.; Sidorov, L.N.,
Mass-spectrometric study of mixed dimers M2BO2F,
Int. J. Mass Spectrom. Ion Phys., 1976, 21, 279. [all data]
Srivastava, Uy, et al., 1971
Srivastava, R.D.; Uy, O.M.; Farber, M.,
Effusion mass spectrometric study of thermodynamic properties of BO- and BO2-,
J. Chem. Soc. Faraday Trans., 1971, 67, 2941. [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]
Uy, Srivastava, et al., 1971
Uy, O.M.; Srivastava, R.D.; Farber, M.,
Mass spectrometric determination of the heats of formation of gaseous BO2 BOF2,
High Temp. Sci., 1971, 3, 462. [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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