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copper oxide


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
Deltafgas306.27kJ/molReviewChase, 1998Data last reviewed in December, 1977
Quantity Value Units Method Reference Comment
gas,1 bar234.62J/mol*KReviewChase, 1998Data 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. - 1200.1200. - 6000.
A 35.3635446.06542
B 5.412422-6.233114
C -4.3358371.671166
D 1.355291-0.092325
E -0.083269-4.404288
F 295.2414284.4664
G 275.5110282.5367
H 306.2692306.2692
ReferenceChase, 1998Chase, 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
Deltafsolid-156.06kJ/molReviewChase, 1998Data last reviewed in December, 1977
Quantity Value Units Method Reference Comment
solid42.59J/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 1998
Comment Data last reviewed in December, 1977

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, 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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through August, 1975

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 63Cu16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Unidentified transitions in matrix absorption (F larrow X?) and fluorescence.
Shirk and Bass, 1970; Thompson, Easley, et al., 1973
P 2Pi3/2  [574] 1   [0.384] 1 0.005    [1.855] 1 P rarrow X1 R 25194 1
Appelblad and Lagerqvist, 1974
M 2Pi3/2     [0.419] 2     [1.776] 2 M lrarrow X1 R 23898 2 Z
Lagerqvist and Uhler, 1967; Appelblad and Lagerqvist, 1973; Appelblad and Lagerqvist, 1974, 2
I 2Pi3/2  [608] 3   [0.416] 3 0.0046    [1.783] 3 I rarrow X1 R 22449 3
Appelblad and Lagerqvist, 1974
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
H 2Pi3/2  [557] 3   [0.4176] 3 0.0056    [1.7791] 3 H rarrow X1 R 22326 3
Appelblad and Lagerqvist, 1974
G 2Sigma(-) (1/2) 21618.6 [582.74] Z (4.0)  0.41481 4 0.00370  0.000000724  1.78509 G rarrow X2 5 R 21316.94 6 Z
missing citation
           G rarrow X1 5 R 21593.98 6 Z
missing citation
F 2Pii 21237 7 [600.8] Z (4.4)  0.4121 8 0.0038  0.0000008  1.7910 F rarrow X R 21082.8 9 Z
missing citation; Appelblad and Lagerqvist, 1973; missing citation; Appelblad and Lagerqvist, 1975
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E 2Delta5/2 21058.0 733 HQ 5.5  0.4445 10 0.0036    1.7244 E rarrow X1 21104.1 HQ
Appelblad and Lagerqvist, 1974
Bands in the green region, partially analyzed Lefebvre, Pinchemel, et al., 1976 in terms of a 2Pii rarrow 2Pii transition.
missing citation; missing citation
A 2Sigma(+) 16491.3 631.02 Z (6.0)  0.43387 11 0.00475  0.000000793  1.74543 A lrarrow X2 16215.33 6 Z
missing citation; missing citation; Appelblad and Lagerqvist, 1973; missing citation
           A lrarrow X1 R 16492.37 6 Z
missing citation; missing citation; Appelblad and Lagerqvist, 1973; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X2 2Pi 1/2 279.02 12 636.18 Z 4.36  0.44415 13 0.00449  0.00000084  1.72513 14 
X1 2Pi 3/2 0 640.17 Z 4.43  0.44454 0.00456  0.00000085  1.72437  

Notes

1Lowest observed level and DeltaG, vibrational numbering unknown. The observed transitions are v-3 at 23327 cm-1, v-4 and (v+1)-4.
2One level only. Vibrational numbering uncertain; the authors in Antic-Jovanovic, Pesic, et al., 1968 suggest v=1. Perturbations.
3These are values of DeltaG(3/2),B1, r1,v(1-0). v=0 not observed.
4Spin doubling Deltanu12(v=0) = +0.1674N(N+1) + ...; Deltanu12(v=1)= +0.1743N(N+1) + ....
5G «rarrw» X1 is considerably weaker than G rarrow X2. Relative branch intensities in both sub-bands are unusual.
6N'=0 relative to {J"=0}.
7A0 = -6.24, A1 = -31.87. Also J-dependent terms Appelblad and Lagerqvist, 1974, 2.
8v=0 perturbed. Lambda-type doubling in v=1. For 2Pi1/2, Deltanufe = (-)[0.3190(J+1/2) - ...]; For 2Pi3/2,Deltanufe = (-)[2.74E-5(J-1/2)(J+1/2)(J+3/2) - ...].
9J'=1/2 relative to J"= 1/2 (average of {F1} and F2).
10v=0 strongly perturbed.
11Spin-doubling constants gamma0 = -0.1952, gamma1 = -0.1908.
12A0 = -276.11, A1 = -272.28, A2 = -268.69; also J-dependent terms Appelblad and Lagerqvist, 1974, 2.
13Lambda-type doubling , Deltanufe(2Pi1/2) = (-)[0.0148(J+1/2) - ...](average of v=0,1,2).
14The absence of an ESR spectrum attributable to matrix isolated CuO is compatible with a 2Pi ground state Thompson, Easley, et al., 1973.
15Thermochemical value (mass-spectrom.) , Cheetam and Barrow, 1967, Smoes, Mandy, et al., 1972.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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]

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 2«PI» 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 2«SIGMA»--X2«PI»i 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 2«PI»i-X2«PI»i 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, Constants of diatomic molecules, References