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Experimental data for HeH+ (Helium hydride cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/HHe/h1H/q+1 HSFAAVLNFOAYQX-UHFFFAOYSA-N [He][H+]
State Conformation
1Σ 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 Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 Σ 2911   2014Per/Hod:101101      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2014Per/Hod:101101

vibrational zero-point energy: 1455.5 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for HeH+ (Helium hydride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  33.55866   2014Per/Hod:101101 B0

Calculated rotational constants for HeH+ (Helium hydride cation).
Product of moments of inertia moments of inertia
0.5023332amu Å2   8.341509E-41gm cm2
Geometric Data
picture of Helium hydride 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
rHHe 0.790   1 2 2014Per/Hod:101101 from B0

Cartesians
Atom x (Å) y (Å) z (Å)
He1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 0.7899

Atom - Atom Distances bond lengths
Distances in Å
  He1 H2
He1   0.7899
H2 0.7899  

Calculated geometries for HeH+ (Helium hydride cation).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
He1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ
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 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 HeH+ (Helium hydride 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 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for HeH+ (Helium hydride cation).

References
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squib reference DOI
2014Per/Hod:101101 AJ Perry, JN Hodges, CR Markus, GS Kocheril, BJ McCall "Communication: High precision sub-Doppler unfrared spectroscopy of the HeH+ ion" J. Chem. Phys. 141, 101101 (2014) 10.1063/1.4895505

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