dicopper oxide
- Formula: Cu2O
- Molecular weight: 143.091
- CAS Registry Number: 1317-39-1
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Condensed phase thermochemistry data
Go To: Top, 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°liquid | -26.769 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 31.061 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -40.801 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 22.08 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1977 |
Liquid 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) | 1517. to 2000. |
|---|---|
| A | 22.80110 |
| B | 1.169334 |
| C | -0.473896 |
| D | 0.068110 |
| E | 0.363910 |
| F | -37.26745 |
| G | 51.12978 |
| H | -26.76745 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1977 |
Solid 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 1516.7 |
|---|---|---|
| A | 14.20180 | 6.888511 |
| B | 9.045811 | 9.516260 |
| C | -6.321901 | 0.348802 |
| D | 2.647250 | -0.061212 |
| E | -0.129584 | 2.701461 |
| F | -45.82001 | -37.45619 |
| G | 36.09410 | 34.60801 |
| H | -40.80000 | -40.80000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1977 | Data last reviewed in December, 1977 |
Vibrational and/or electronic energy levels
Go To: Top, Condensed 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 by: Marilyn E. Jacox
State: D
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 14930 ± 400 | gas | Wang, Wu, et al., 1996 | |||||
State: C
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 14120 ± 400 | gas | Wang, Wu, et al., 1996 | |||||
State: B
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 12590 ± 400 | gas | Wang, Wu, et al., 1996 | |||||
State: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 11540 ± 400 | gas | Wang, Wu, et al., 1996 | |||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | Sym. stretch | 625 | T | Ar | LF | Tevault, 1982 |
| 2 | Bend | 200 | U | gas | PE | Wang, Wu, et al., 1996 | |
Additional references: Jacox, 1998, page 163
Notes
| U | Upper bound |
| T | Tentative assignment or approximate value |
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Condensed phase thermochemistry 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]
Wang, Wu, et al., 1996
Wang, L.S.; Wu, H.; Desai, S.R.; Lou, L.,
Electronic Structure of Small Copper Oxide Clusters: From Cu2O to Cu2O4,
Phys. Rev. B: Cond. Matt., 1996, 53, 12, 8028, https://doi.org/10.1103/PhysRevB.53.8028
. [all data]
Tevault, 1982
Tevault, D.E.,
Laser-induced emission spectrum of CuO2 in argon matrices,
J. Chem. Phys., 1982, 76, 6, 2859, https://doi.org/10.1063/1.443387
. [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, Condensed phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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