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Experimental data for Zn(CH3)2 (dimethyl zinc)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/2CH3.Zn/h2*1H3; AXAZMDOAUQTMOW-UHFFFAOYSA-N C[Zn]C
State Conformation
1A1' D3H
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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1' 2900   webbook      
2 A1' 1157          
3 A1' 503          
4 A1"             torsion
5 A2" 2915          
6 A2" 1183          
7 A2" 613          
8 E' 2966          
9 E' 1304          
10 E' 704          
11 E' 134          
12 E" 2843          
13 E" 1434          
14 E" 620          

vibrational zero-point energy: 14640.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for Zn(CH3)2 (dimethyl zinc).
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 Zn(CH3)2 (dimethyl zinc).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of dimethyl zinc

Point Group C2v


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 Zn(CH3)2 (dimethyl zinc).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Zn 2
H-C 6

Connectivity
Atom 1 Atom 2
Zn1 C2
Zn1 C3
C2 H4
C2 H6
C2 H7
C3 H5
C3 H8
C3 H9
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1
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