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copper oxide


Constants of diatomic molecules

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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, 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 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, Constants of diatomic molecules, References