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Experimental data for SiH+ (silicon monohydride cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/HSi/h1H/q+1 DNOWURJULUQXJY-UHFFFAOYSA-N [SiH+]
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
Entropy (298.15K) entropy 186.79   J K-1 mol-1 webbook
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 2089 2157 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2157.17 34.24 7.6603 0.2096 1071.457 2007Iri:389

vibrational zero-point energy: 1044.3 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for SiH+ (silicon monohydride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.66030   webbook

Calculated rotational constants for SiH+ (silicon monohydride cation).
Product of moments of inertia moments of inertia
2.200649amu Å2   3.65432E-40gm cm2
Geometric Data
picture of silicon 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
rSiH 1.504   1 2 webbook re

Cartesians
Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.5041

Atom - Atom Distances bond lengths
Distances in Å
  Si1 H2
Si1   1.5041
H2 1.5041  

Calculated geometries for SiH+ (silicon 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-Si 1

Connectivity
Atom 1 Atom 2
Si1 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 SiH+ (silicon 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 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for SiH+ (silicon monohydride cation).

References
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squib reference DOI
2007Iri:389 KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007 10.1063/1.2436891
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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