Boron hydride oxide
- Formula: BHO
- Molecular weight: 27.818
- IUPAC Standard InChI: InChI=1S/BHO/c1-2/h1H
- IUPAC Standard InChIKey: UXUFOKFTFHRQTE-UHFFFAOYSA-N
- CAS Registry Number: 20611-59-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, 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 | -47.400 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 48.427 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1975 |
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 | 6.263220 | 12.95350 |
| B | 9.794761 | 1.209490 |
| C | -4.476131 | -0.291746 |
| D | 0.758928 | 0.025885 |
| E | -0.033725 | -1.702441 |
| F | -49.77801 | -55.04661 |
| G | 53.08810 | 59.00000 |
| H | -47.40019 | -47.40019 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1975 | Data last reviewed in December, 1975 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
BO- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.5 ± 6.5 | kcal/mol | D-EA | Wenthold, Kim, et al., 1997 | gas phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction 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 by: John E. Bartmess
De-protonation reactions
BO- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.5 ± 6.5 | kcal/mol | D-EA | Wenthold, Kim, et al., 1997 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction 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 | |
|---|---|---|---|---|---|---|---|
| Π | 2 | Bend | 754.42 | gas | DL | Butler | |
| 2 | Bend | 756.1 | m | Ar | IR | Lory and Porter, 1971 Ault, 1990 Andrews and Burkholder, 1991 | |
| Σ+ | 3 | BO stretch | 1825.56 | gas | DL | Kawashima, Kawaguchi, et al., 1986 | |
| 3 | BO stretch | 1822.3 | s | Ar | IR | Lory and Porter, 1971 Ault, 1990 Andrews and Burkholder, 1991 | |
Additional references: Jacox, 1994, page 35; Jacox, 2003, page 32; Kawashima, Endo, et al., 1987; Kawashima, Endo, et al., 1989; Kawashima, Colarusso, et al., 1998
Notes
| m | Medium |
| s | Strong |
References
Go To: Top, Gas phase thermochemistry data, Reaction 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]
Wenthold, Kim, et al., 1997
Wenthold, P.G.; Kim, J.B.; Jonas, K.-L.; Lineberger, W.C.,
An Experimental and Computational Study of the Electron Affinity of Boron Oxide,
J. Phys. Chem. A, 1997, 101, 24, 4472, https://doi.org/10.1021/jp970645u
. [all data]
Butler
Butler, J.E.,
unpublished data.. [all data]
Lory and Porter, 1971
Lory, E.R.; Porter, R.F.,
Infrared spectrum of matrix-isolated HBO,
J. Am. Chem. Soc., 1971, 93, 23, 6301, https://doi.org/10.1021/ja00752a068
. [all data]
Ault, 1990
Ault, B.S.,
Matrix isolation study of excimer laser-induced photooxidation processes,
J. Mol. Struct., 1990, 222, 1-2, 1, https://doi.org/10.1016/0022-2860(90)80002-2
. [all data]
Andrews and Burkholder, 1991
Andrews, L.; Burkholder, T.R.,
Infrared spectra of boron atom-water molecule reaction products trapped in solid argon,
J. Phys. Chem., 1991, 95, 22, 8554, https://doi.org/10.1021/j100175a028
. [all data]
Kawashima, Kawaguchi, et al., 1986
Kawashima, Y.; Kawaguchi, K.; Hirota, E.,
Detection of HBO by discharge modulated infrared diode laser spectroscopy,
Chem. Phys. Lett., 1986, 131, 3, 205, https://doi.org/10.1016/0009-2614(86)80546-2
. [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]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Kawashima, Endo, et al., 1987
Kawashima, Y.; Endo, Y.; Kawaguchi, K.; Hirota, E.,
Detection and equilibrium molecular structure of a short-lived molecule, HBO, by microwave spectroscopy,
Chem. Phys. Lett., 1987, 135, 4-5, 441, https://doi.org/10.1016/0009-2614(87)85186-2
. [all data]
Kawashima, Endo, et al., 1989
Kawashima, Y.; Endo, Y.; Hirota, E.,
Microwave spectrum, molecular structure, and force field of HBO,
J. Mol. Spectrosc., 1989, 133, 1, 116, https://doi.org/10.1016/0022-2852(89)90247-6
. [all data]
Kawashima, Colarusso, et al., 1998
Kawashima, Y.; Colarusso, P.; Zhang, K.Q.; Bernath, P.; Hirota, E.,
Infrared and Microwave Spectra and Force Field of DBO: The Coriolis Interaction between the ν1and ν2+ ν3States,
J. Mol. Spectrosc., 1998, 192, 1, 152, https://doi.org/10.1006/jmsp.1998.7633
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction 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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