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Experimental data for HI+ (Hydrogen iodide cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/HI/h1H/q+1 [IH+]
State Conformation
2Π 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 2116 2195 1995Cha/Ho:8725-8735      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2195.243 39.597 6.330697 0.175393 1995Cha/Ho:8725-8735

vibrational zero-point energy: 1058.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for HI+ (Hydrogen iodide cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  6.33070   1995Cha/Ho:8725-8735 Be

Calculated rotational constants for HI+ (Hydrogen iodide cation).
Product of moments of inertia moments of inertia
2.66284amu Å2   4.421825E-40gm cm2
Geometric Data
picture of Hydrogen iodide 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
rHI 1.632 0.000 1 2 1995Cha/Ho:8725-8735 re

Cartesians
Atom x (Å) y (Å) z (Å)
I1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.6319

Atom - Atom Distances bond lengths
Distances in Å
  I1 H2
I1   1.6319
H2 1.6319  

Calculated geometries for HI+ (Hydrogen iodide cation).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
I1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
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 2Π 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 HI+ (Hydrogen iodide 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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for HI+ (Hydrogen iodide cation).

References
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squib reference DOI
1995Cha/Ho:8725-8735 A Chanda, WC Ho, FW Dalby, I Ozier "Hyperfine-resolved rovibrational spectrum of the X 2Pi state of HI+" J. Chem. Phys. 102, 8725 (1995) 10.1063/1.468976

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