metaboric acid
- Formula: BHO2
- Molecular weight: 43.818
- CAS Registry Number: 13460-50-9
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -134.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1964 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 57.297 | 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 | 4.636552 | 17.01810 |
B | 21.63220 | 1.452560 |
C | -13.97080 | -0.274753 |
D | 3.581021 | 0.018097 |
E | 0.013596 | -2.522300 |
F | -136.1820 | -144.6670 |
G | 57.12459 | 70.39221 |
H | -134.0000 | -134.0000 |
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 182.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 174.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.5 ± 1.0 | EI | Uy, Srivastava, et al., 1971 | LLK |
12.6 ± 0.2 | EI | Meschi, Chupka, et al., 1960 | RDSH |
De-protonation reactions
BO2- + = HBO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 322.9 ± 5.4 | kcal/mol | D-EA | Zhai, Wang, et al., 2007 | gas phase; B |
ΔrH° | 324.1 ± 6.3 | kcal/mol | D-EA | Sidorov, Rudnyi, et al., 1983 | gas phase; value altered from reference due to conversion from electron convention to ion convention; B |
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 | |
---|---|---|---|---|---|---|---|
OH stretch | 3681 | Ar | IR | Andrews and Burkholder, 1992 | |||
OBO a-stretch | 2023 | Ar | IR | Andrews and Burkholder, 1992 | |||
HOB deform. | 904 | Ar | IR | Andrews and Burkholder, 1992 | |||
OBO deform. | 516 | Ar | IR | Andrews and Burkholder, 1992 | |||
HOB deform. | 447 | T | Ar | IR | Andrews and Burkholder, 1992 | ||
Additional references: Jacox, 1994, page 162
Notes
T | Tentative assignment or approximate value |
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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [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]
Meschi, Chupka, et al., 1960
Meschi, D.J.; Chupka, W.A.; Berkowitz, J.,
Heterogeneous reactions studied by mass spectrometry. I. Reaction of B203(s) with H2O(g),
J. Chem. Phys., 1960, 33, 530. [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]
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]
Andrews and Burkholder, 1992
Andrews, L.; Burkholder, T.R.,
Infrared spectra of molecular B(OH)3 and HOBO in solid argon,
J. Chem. Phys., 1992, 97, 10, 7203, https://doi.org/10.1063/1.463545
. [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:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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