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II.A.1. (XV.A.)

Listing of experimental data for CuO (Copper Monoxide)

Other names
Copper monooxide; Copper(ii) oxide; Cupric oxide; Copper oxide; Copper(II) oxide;
INChI SMILES IUPAC name
InChI=1/Cu.O [Cu]=O
State Conformation
2Π C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 306.27 41.80 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 305.87 41.80 kJ mol-1 JANAF
Entropy (298.15K) entropy 234.62   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity -9.75   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 35.69   J K-1 mol-1 JANAF
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 640 1979HUB/HER      

vibrational zero-point energy: 320.1 cm-1
Calculated vibrational frequencies for CuO (Copper Monoxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.44454 0.44454 1979HUB/HER Be

Calculated rotational constants for CuO (Copper Monoxide).

Product of moments of inertia moments of inertia
37.92152amu Å2   6.297114E-39gm cm2

Geometric Data
picture of Copper Monoxide

Point Group C∞v

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCuO 1.724 0.000 1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Cu1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.7243

Atom - Atom Distances bond lengths
Distances in Å
  Cu1 O2
Cu1   1.7243
O2 1.7243  

Calculated geometries for CuO (Copper Monoxide).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=Cu 1

Connectivity
Atom 1 Atom 2
Cu1 O2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2 1979HUB/HER 2Π
279.02 2 1979HUB/HER
16491 2 1979HUB/HER

Electron Affinity (eV)
Electron Affinity unc. reference
1.777 0.006 2002Rie/Tsc:231

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
4.500 1992LBII/19c +-0.5

Calculated electric dipole moments for CuO (Copper Monoxide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for CuO (Copper Monoxide).

References
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squib reference DOI
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979  
1992LBII/19c Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology, New Series, II/19c (1992) Spreinger-Verlag, Heidelberg  
2002Rie/Tsc:231 JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282 10.1021/cr990044u
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  

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