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

Listing of experimental data for AsF (Arsenic monofluoride)

INChI SMILES IUPAC name
InChI=1S/AsF/c1-2 [As]F
State Conformation
3Σ 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
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 686 webbook      

vibrational zero-point energy: 342.9 cm-1
Calculated vibrational frequencies for AsF (Arsenic monofluoride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.36480   webbook

Calculated rotational constants for AsF (Arsenic monofluoride).

Product of moments of inertia moments of inertia
46.21061amu Å2   7.673572E-39gm cm2

Geometric Data
picture of Arsenic monofluoride

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
rFAs 1.736 0.001 1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
As1 0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.7360

Atom - Atom Distances bond lengths
Distances in Å
  As1 F2
As1   1.7360
F2 1.7360  

Calculated geometries for AsF (Arsenic monofluoride).

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

Connectivity
Atom 1 Atom 2
As1 F2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3 webbook 3Σ
7053.5 2 webbook 1Δ
13648.6 1 webbook 1Σ
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for AsF (Arsenic monofluoride).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for AsF (Arsenic monofluoride).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

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