copper oxide
- Formula: CuO
- Molecular weight: 79.545
- IUPAC Standard InChI: InChI=1S/Cu.O
- IUPAC Standard InChIKey: QPLDLSVMHZLSFG-UHFFFAOYSA-N
- CAS Registry Number: 1317-38-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Copper(ii) oxide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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 | 306.27 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 234.62 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1977 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 35.36354 | 46.06542 |
| B | 5.412422 | -6.233114 |
| C | -4.335837 | 1.671166 |
| D | 1.355291 | -0.092325 |
| E | -0.083269 | -4.404288 |
| F | 295.2414 | 284.4664 |
| G | 275.5110 | 282.5367 |
| H | 306.2692 | 306.2692 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1977 | Data last reviewed in December, 1977 |
Condensed 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°solid | -156.06 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 42.59 | J/mol*K | Review | Chase, 1998 | 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 2000. |
|---|---|
| A | 48.56494 |
| B | 7.498607 |
| C | -0.055980 |
| D | 0.013851 |
| E | -0.760082 |
| F | -173.4272 |
| G | 94.85128 |
| H | -156.0632 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1977 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, 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
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.780 ± 0.040 | LPES | Wu, Desai, et al., 1997 | |
| 1.7770 ± 0.0060 | LPES | Polak, Gilles, et al., 1991 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Condensed 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through August, 1975
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Unidentified transitions in matrix absorption (F ← X?) and fluorescence. | ||||||||||||
| ↳Shirk and Bass, 1970; Thompson, Easley, et al., 1973 | ||||||||||||
| P 2Π3/2 | [574] 1 | [0.384] 1 | 0.005 | [1.855] 1 | P → X1 R | 25194 1 | ||||||
| ↳Appelblad and Lagerqvist, 1974 | ||||||||||||
| M 2Π3/2 | [0.419] 2 | [1.776] 2 | M ↔ X1 R | 23898 2 Z | ||||||||
| ↳Lagerqvist and Uhler, 1967; Appelblad and Lagerqvist, 1973; Appelblad and Lagerqvist, 1974, 2 | ||||||||||||
| I 2Π3/2 | [608] 3 | [0.416] 3 | 0.0046 | [1.783] 3 | I → X1 R | 22449 3 | ||||||
| ↳Appelblad and Lagerqvist, 1974 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| H 2Π3/2 | [557] 3 | [0.4176] 3 | 0.0056 | [1.7791] 3 | H → X1 R | 22326 3 | ||||||
| ↳Appelblad and Lagerqvist, 1974 | ||||||||||||
| G 2Σ(-) (1/2) | 21618.6 | [582.74] Z | (4.0) | 0.41481 4 | 0.00370 | 0.000000724 | 1.78509 | G → X2 5 R | 21316.94 6 Z | |||
| ↳missing citation | ||||||||||||
| G → X1 5 R | 21593.98 6 Z | |||||||||||
| ↳missing citation | ||||||||||||
| F 2Πi | 21237 7 | [600.8] Z | (4.4) | 0.4121 8 | 0.0038 | 0.0000008 | 1.7910 | F → X R | 21082.8 9 Z | |||
| ↳missing citation; Appelblad and Lagerqvist, 1973; missing citation; Appelblad and Lagerqvist, 1975 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| E 2Δ5/2 | 21058.0 | 733 HQ | 5.5 | 0.4445 10 | 0.0036 | 1.7244 | E → X1 | 21104.1 HQ | ||||
| ↳Appelblad and Lagerqvist, 1974 | ||||||||||||
| Bands in the green region, partially analyzed Lefebvre, Pinchemel, et al., 1976 in terms of a 2Πi → 2Πi transition. | ||||||||||||
| ↳missing citation; missing citation | ||||||||||||
| A 2Σ(+) | 16491.3 | 631.02 Z | (6.0) | 0.43387 11 | 0.00475 | 0.000000793 | 1.74543 | A ↔ X2 | 16215.33 6 Z | |||
| ↳missing citation; missing citation; Appelblad and Lagerqvist, 1973; missing citation | ||||||||||||
| A ↔ X1 R | 16492.37 6 Z | |||||||||||
| ↳missing citation; missing citation; Appelblad and Lagerqvist, 1973; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X2 2Π 1/2 | 279.02 12 | 636.18 Z | 4.36 | 0.44415 13 | 0.00449 | 0.00000084 | 1.72513 | 14 | ||||
| X1 2Π 3/2 | 0 | 640.17 Z | 4.43 | 0.44454 | 0.00456 | 0.00000085 | 1.72437 | |||||
Notes
| 1 | Lowest observed level and ΔG, vibrational numbering unknown. The observed transitions are v-3 at 23327 cm-1, v-4 and (v+1)-4. |
| 2 | One level only. Vibrational numbering uncertain; the authors in Antic-Jovanovic, Pesic, et al., 1968 suggest v=1. Perturbations. |
| 3 | These are values of ΔG(3/2),B1, r1,v(1-0). v=0 not observed. |
| 4 | Spin doubling Δν12(v=0) = +0.1674N(N+1) + ...; Δν12(v=1)= +0.1743N(N+1) + .... |
| 5 | G «rarrw» X1 is considerably weaker than G → X2. Relative branch intensities in both sub-bands are unusual. |
| 6 | N'=0 relative to {J"=0}. |
| 7 | A0 = -6.24, A1 = -31.87. Also J-dependent terms Appelblad and Lagerqvist, 1974, 2. |
| 8 | v=0 perturbed. Λ-type doubling in v=1. For 2Π1/2, Δνfe = (-)[0.3190(J+1/2) - ...]; For 2Π3/2,Δνfe = (-)[2.74E-5(J-1/2)(J+1/2)(J+3/2) - ...]. |
| 9 | J'=1/2 relative to J"= 1/2 (average of {F1} and F2). |
| 10 | v=0 strongly perturbed. |
| 11 | Spin-doubling constants γ0 = -0.1952, γ1 = -0.1908. |
| 12 | A0 = -276.11, A1 = -272.28, A2 = -268.69; also J-dependent terms Appelblad and Lagerqvist, 1974, 2. |
| 13 | Λ-type doubling , Δνfe(2Π1/2) = (-)[0.0148(J+1/2) - ...](average of v=0,1,2). |
| 14 | The absence of an ESR spectrum attributable to matrix isolated CuO is compatible with a 2Π ground state Thompson, Easley, et al., 1973. |
| 15 | Thermochemical value (mass-spectrom.) , Cheetam and Barrow, 1967, Smoes, Mandy, et al., 1972. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]
Wu, Desai, et al., 1997
Wu, H.; Desai, S.R.; Wang, L.,
Chemical Bonding between Cu and Oxygen - Copper Oxides versus O2 Complexes: A Study of CuOx(x=0-6) Species by Anion Photoelectron Spectroscopy,
J. Phys. Chem., 1997, 101, 11, 2103, https://doi.org/10.1021/jp9631442
. [all data]
Polak, Gilles, et al., 1991
Polak, M.L.; Gilles, M.K.; Ho, J.; Lineberger, W.C.,
Photoelectron Spectroscopy of CuO-,
J. Phys. Chem., 1991, 95, 9, 3460, https://doi.org/10.1021/j100162a005
. [all data]
Shirk and Bass, 1970
Shirk, J.S.; Bass, A.M.,
Absorption and laser-excited fluorescence of matrix-isolated CuO,
J. Chem. Phys., 1970, 52, 1894. [all data]
Thompson, Easley, et al., 1973
Thompson, K.R.; Easley, W.C.; Knight, L.B.,
Spectra of matrix isolated transition metal monoxides. Maganese(II) and copper(II) oxides. Evidence for a 2Π ground state for copper(II) oxide,
J. Phys. Chem., 1973, 77, 49. [all data]
Appelblad and Lagerqvist, 1974
Appelblad, O.; Lagerqvist, A.,
USIP Annual Report, Rpt. May-75, 1974, 1. [all data]
Lagerqvist and Uhler, 1967
Lagerqvist, A.; Uhler, U.,
The band spectrum of copper oxide,
Z. Naturforsch. B, 1967, 22, 551. [all data]
Appelblad and Lagerqvist, 1973
Appelblad, O.; Lagerqvist, A.,
The spectrum of CuO: rotational analysis of a blue band system,
J. Mol. Spectrosc., 1973, 48, 607. [all data]
Appelblad and Lagerqvist, 1974, 2
Appelblad, O.; Lagerqvist, A.,
The spectrum of CuO: rotational analysis of some blue and red bands,
Phys. Scr., 1974, 10, 307. [all data]
Appelblad and Lagerqvist, 1975
Appelblad, O.; Lagerqvist, A.,
The spectrum of CuO: rotational analysis of a 2Σ--X2Πi transition,
Can. J. Phys., 1975, 53, 2221. [all data]
Lefebvre, Pinchemel, et al., 1976
Lefebvre, Y.; Pinchemel, B.; Bacis, R.,
Analyse rotationnelle d'un systeme vert 2Πi-X2Πi de la molecule CuO,
Can. J. Phys., 1976, 54, 735. [all data]
Antic-Jovanovic, Pesic, et al., 1968
Antic-Jovanovic, A.; Pesic, D.S.; Gaydon, A.G.,
The spectrum of CuO; study of the orange-red system by use of 18O,
Proc. R. Soc. London A, 1968, 307, 399. [all data]
Cheetam and Barrow, 1967
Cheetam, C.J.; Barrow, R.F.,
Adv. High Temp. Chem., 1967, 1, 7. [all data]
Smoes, Mandy, et al., 1972
Smoes, S.; Mandy, F.; Vander Auwera-Mahieu, A.; Drowart, J.,
Determination by the mass spectrometric Knudsen cell method of the dissociation energies of the group IB chalcogenides,
Bull. Soc. Chim. Belg., 1972, 81, 45. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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