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

Listing of experimental data for As(CH3)3 (trimethyl arsine)

INChI SMILES IUPAC name
InChI=1S/C3H9As/c1-4(2)3/h1-3H3 C[As](C)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 As(CH3)3 (trimethyl arsine).
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 As(CH3)3 (trimethyl arsine).

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

Geometric Data
picture of trimethyl arsine

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 As(CH3)3 (trimethyl arsine).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 9
C-As 3

Connectivity
Atom 1 Atom 2
As1 C2
As1 C3
As1 C4
C2 H5
C2 H8
C2 H11
C3 H6
C3 H9
C3 H12
C4 H7
C4 H10
C4 H13

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
0.860 NSRDS-NBS10  

Calculated electric dipole moments for As(CH3)3 (trimethyl arsine).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for As(CH3)3 (trimethyl arsine).

References
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squib reference DOI
NSRDS-NBS10 R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967  

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