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

Listing of experimental data for CH3Li (methyl lithium)

INChI SMILES IUPAC name
InChI=1S/CH3.Li/h1H3; [Li]C
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
1 A1 2780 webbook      
2 A1 1158 webbook      
3 A1 530 webbook      
4 E 2820 webbook      
5 E 1387 webbook      
6 E 409 webbook      

vibrational zero-point energy: 6849.5 cm-1
Calculated vibrational frequencies for CH3Li (methyl lithium).
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 CH3Li (methyl lithium).

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

Geometric Data
picture of methyl lithium

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 CH3Li (methyl lithium).

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

Connectivity
Atom 1 Atom 2
Li1 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 CH3Li (methyl lithium).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for CH3Li (methyl lithium).
References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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