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Experimental data for VO (Vanadium monoxide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/O.V IBYSTTGVDIFUAY-UHFFFAOYSA-N [V][O]
State Conformation
4Σ- NULL
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 127.60   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 230.90   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 1002 1011 webbook      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
1011.3 4.86 0.54825 0.00352 webbook

vibrational zero-point energy: 500.8 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for VO (Vanadium monoxide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.54825   webbook

Calculated rotational constants for VO (Vanadium monoxide).
Product of moments of inertia moments of inertia
30.74807amu Å2   5.105917E-39gm cm2
Geometric Data
picture of Vanadium monoxide

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
rVO 1.589 0.000 1 2 webbook

Cartesians
Atom x (Å) y (Å) z (Å)
V1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.5893

Atom - Atom Distances bond lengths
Distances in Å
  V1 O2
V1   1.5893
O2 1.5893  

Calculated geometries for VO (Vanadium monoxide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
V1 O2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 4   4Σ-

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
7.239 0.001     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
1.229 0.008 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 4Σ- NULL 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 VO (Vanadium monoxide).
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 4Σ- NULL True       C∞v 1 1

Calculated electric quadrupole moments for VO (Vanadium monoxide).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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