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

Listing of experimental data for CuCH3 (monomethyl copper)

INChI SMILES IUPAC name
InChI=1/CH3.Cu/h1H3;/rCH3Cu/c1-2/h1H3 [Cu]C
State Conformation
1A1 C3V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
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

Calculated vibrational frequencies for CuCH3 (monomethyl copper).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CuCH3 (monomethyl copper).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of monomethyl copper

Point Group C3v

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for CuCH3 (monomethyl copper).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Cu 1
H-C 3

Connectivity
Atom 1 Atom 2
Cu1 C2
C2 H3
C2 H4
C2 H5

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for CuCH3 (monomethyl copper).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for CuCH3 (monomethyl copper).

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