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Experimental data for GeCl+ (Germanium monochloride cation)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/ClGe/c1-2 MFWRCAQESKCGKS-UHFFFAOYSA-N [Ge]Cl
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 403 406 2008Tan/Hon:369      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
405.79 1.569 0.1516787 7.538549E-04 2008Tan/Hon:369

vibrational zero-point energy: 201.3 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for GeCl+ (Germanium monochloride cation).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.15168   2008Tan/Hon:369 Be

Calculated rotational constants for GeCl+ (Germanium monochloride cation).
Product of moments of inertia moments of inertia
111.1404amu Å2   1.845559E-38gm cm2
Geometric Data
picture of Germanium monochloride 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
rClGe 2.164 0.000 1 2 2008Tan/Hon:369 re

Cartesians
Atom x (Å) y (Å) z (Å)
Ge1 0.0000 0.0000 0.0000
Cl2 0.0000 0.0000 2.1637

Atom - Atom Distances bond lengths
Distances in Å
  Ge1 Cl2
Ge1   2.1637
Cl2 2.1637  

Calculated geometries for GeCl+ (Germanium monochloride cation).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Ge1 Cl2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
975 2 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 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 GeCl+ (Germanium monochloride 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 GeCl+ (Germanium monochloride cation).

References
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squib reference DOI
2008Tan/Hon:369 K Tanaka, H Honjou, MJ Tsuchiya, T Tanaka "Microweave spectrum of the GeCl radical" J. Molecular SPectroscopy 251 (2008) 369-373 10.1016/j.jms.2008.04.007
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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