Diberyllium monoxide
- Formula: Be2O
- Molecular weight: 34.0238
- CAS Registry Number: 12009-99-3
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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 | -15.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1963 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 52.780 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1963 |
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 | 5.954209 | 14.66520 |
B | 17.16400 | 0.128416 |
C | -13.02370 | -0.025230 |
D | 3.605940 | 0.001707 |
E | -0.019859 | -1.121560 |
F | -17.49690 | -22.22120 |
G | 55.30210 | 66.49130 |
H | -15.00000 | -15.00000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1963 | Data last reviewed in September, 1963 |
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.5 ± 0.5 | EI | Theard and Hildenbrand, 1964 | RDSH |
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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 28087.4 | gas | Merritt, Bondybey, et al., 2009 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | Sym. stretch | 693.2 | gas | LF | Merritt, Bondybey, et al., 2009 | |
Πg | 2 | Bend | 69.7 | gas | LF | Merritt, Bondybey, et al., 2009 | |
Σu+ | 3 | Asym. stretch | 788 | gas | LF | Merritt, Bondybey, et al., 2009 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | Sym. stretch | 1039 | gas | SEP | Merritt, Bondybey, et al., 2009 | |
Πg | 2 | Bend | 113 | H | gas | SEP | Merritt, Bondybey, et al., 2009 |
Σu+ | 3 | Asym. stretch | 1414 | gas | SEP | Merritt, Bondybey, et al., 2009 | |
3 | Asym. stretch | 1412.4 | Ar | IR | Thompson and Andrews, 1994 | ||
3 | Asym. stretch | 1407.5 | Kr | IR | Thompson and Andrews, 1994 | ||
3 | Asym. stretch | 1403.0 | Xe | IR | Thompson and Andrews, 1994 | ||
3 | Asym. stretch | 1408.3 | N2 | IR | Andrews, Chertihin, et al., 1996 | ||
Additional references: Jacox, 1998, page 163
Notes
H | (1/2)(2ν) |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
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]
Theard and Hildenbrand, 1964
Theard, L.P.; Hildenbrand, D.L.,
Heat of formation of Be2O(g) by mass spectrometry,
J. Chem. Phys., 1964, 41, 3416. [all data]
Merritt, Bondybey, et al., 2009
Merritt, J.M.; Bondybey, V.E.; Heaven, M.C.,
Spectroscopy, Structure, and Ionization Energy of BeOBe,
J. Phys. Chem. A, 2009, 113, 47, 13300, https://doi.org/10.1021/jp904653v
. [all data]
Thompson and Andrews, 1994
Thompson, C.A.; Andrews, L.,
Reactions of laser ablated Be atoms with O2: Infrared spectra of beryllium oxides in solid argon,
J. Chem. Phys., 1994, 100, 12, 8689, https://doi.org/10.1063/1.466724
. [all data]
Andrews, Chertihin, et al., 1996
Andrews, L.; Chertihin, G.V.; Thompson, C.A.; Dillon, J.; Byrne, S.; Bauschlicher, C.W., Jr.,
Infrared Spectra and Quantum Chemical Calculations of Group 2 MO,
J. Phys. Chem., 1996, 100, 24, 10088, https://doi.org/10.1021/jp953763v
. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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