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Experimental data for CO- (carbon monoxide anion)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/CO/c1-2/q+1 BOJPITGAFFYFJK-UHFFFAOYSA-N [C+]=O
State Conformation
2Σ 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 2184 2214 2007Iri:389      

Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
2214.127 15.094 -0.0117 1.976941 0.018943 1103.358 2007Iri:389

vibrational zero-point energy: 1091.9 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CO- (carbon monoxide anion).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  1.97705 1.97705 NISTdiatomic

Calculated rotational constants for CO- (carbon monoxide anion).
Product of moments of inertia moments of inertia
8.526668amu Å2   1.415908E-39gm cm2
Geometric Data
picture of carbon monoxide anion

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
rCO 1.115 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
O2 0.0000 0.0000 1.1152

Atom - Atom Distances bond lengths
Distances in Å
  C1 O2
C1   1.1152
O2 1.1152  

Calculated geometries for CO- (carbon monoxide anion).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
C1 O2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 4   2Σ
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 2Σ 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 CO- (carbon monoxide anion).
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 2Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for CO- (carbon monoxide anion).

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
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html) 10.18434/T4T59X

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