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Experimental data for AsH+ (Arsenic monohydride cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/AsH/h1H UIESIEAPEWREMY-UHFFFAOYSA-N [AsH]
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
Hfg(298.15K) enthalpy of formation 232.80 0.05 kJ mol-1 1993Jor/Rob:215
Hfg(0K) enthalpy of formation 233.51 0.05 kJ mol-1 1993Jor/Rob:215
Entropy (298.15K) entropy 208.12   J K-1 mol-1 1993Jor/Rob:215
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 8.66   kJ mol-1 1993Jor/Rob:215
Heat Capacity (298.15K) heat capacity 29.18   J K-1 mol-1 1993Jor/Rob:215
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   2130 webbook      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for AsH+ (Arsenic monohydride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.19980   1968Dix/Lam:12 B0

Calculated rotational constants for AsH+ (Arsenic monohydride cation).
Product of moments of inertia moments of inertia
2.341403amu Å2   3.888057E-40gm cm2
Geometric Data
picture of Arsenic monohydride cation

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
rAsH 1.535 0.001 1 2 1968Dix/Lam:12 r0

Cartesians
Atom x (Å) y (Å) z (Å)
As1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.5347

Atom - Atom Distances bond lengths
Distances in Å
  As1 H2
As1   1.5347
H2 1.5347  

Calculated geometries for AsH+ (Arsenic monohydride cation).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
As1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3 webbook 3Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.641 0.008     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.000 0.100 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 3Σ C∞v True           C∞v 1 1
2 1 1Σ C∞v True           C∞v 1 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 AsH+ (Arsenic monohydride cation).
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 3Σ C∞v True       C∞v 1 1
2 1 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for AsH+ (Arsenic monohydride cation).

References
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squib reference DOI
1968Dix/Lam:12 RN Dixon, MH Lamberton "The A 3PIi - X 3Sigma- Band systems of AsH and AsD" Journal of Molecular Spectroscopy 25, 12-33 (1968) 10.1016/S0022-2852(68)80029-3
1993Jor/Rob:215 AS Jordan, A Robertson, Jr "Thermodynamic properties of AsH3 and its subhydrides" Journal of Materials Science: Materials in Electronics, 4 (1993) 215-224 10.1007/BF00224744
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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