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Experimental data for As2 (Arsenic diatomic)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/As2/c1-2 FFCZHQLUEDCQKI-UHFFFAOYSA-N [As]#[As]
State Conformation
1Σg D*H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 221.00 15.00 kJ mol-1 1973Kor/Gin:135
Hfg(0K) enthalpy of formation   15.00 kJ mol-1 1973Kor/Gin:135
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 Σ   430 webbook      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for As2 (Arsenic diatomic).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.10179   webbook

Calculated rotational constants for As2 (Arsenic diatomic).
Product of moments of inertia moments of inertia
165.6118amu Å2   2.750092E-38gm cm2
Geometric Data
picture of Arsenic diatomic

Point Group D∞h


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
rAsAs 2.103   1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
As1 0.0000 0.0000 0.0000
As2 0.0000 0.0000 2.1026

Atom - Atom Distances bond lengths
Distances in Å
  As1 As2
As1   2.1026
As2 2.1026  

Calculated geometries for As2 (Arsenic diatomic).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
As1 As2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σg

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.000 0.200     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.739 0.008 webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1Σg D∞h True           D∞h 0 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for As2 (Arsenic diatomic).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1Σg D∞h True       D∞h 0 1

Calculated electric quadrupole moments for As2 (Arsenic diatomic).

References
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squib reference DOI
1973Kor/Gin:135 J Kordis, KA Gingerich "Atomization Energy and Standard Heat of Formation of Gaseous Diatomic Arsenic" J. Chemical and Engineering Data 18(2), 135, 1973 10.1021/je60057a023
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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