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
The 3d structure may be viewed using Java or Javascript. - Other names: Copper(ii) oxide
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Constants of diatomic molecules
Go To: Top, 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, 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.
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, Constants of diatomic molecules, References
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