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II.A.1. (XV.A.)

Listing of experimental data for CSe (Carbon monoselenide)

INChI SMILES IUPAC name
InChI=1S/CSe/c1-2 [C]=[Se]
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
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 1035 webbook       omega e

vibrational zero-point energy: 517.7 cm-1
Calculated vibrational frequencies for CSe (Carbon monoselenide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.57500   webbook

Calculated rotational constants for CSe (Carbon monoselenide).

Product of moments of inertia moments of inertia
29.31762amu Å2   4.868381E-39gm cm2

Geometric Data
picture of Carbon monoselenide

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
rCSe 1.676 0.000 1 2 NISTdiatomic re

Cartesians
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
Se2 0.0000 0.0000 1.6762

Atom - Atom Distances bond lengths
Distances in Å
  C1 Se2
C1   1.6762
Se2 1.6762  

Calculated geometries for CSe (Carbon monoselenide).

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

Connectivity
Atom 1 Atom 2
C1 Se2

Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
10.800 0.500     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for CSe (Carbon monoselenide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for CSe (Carbon monoselenide).

References
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squib reference DOI
NISTdiatomic NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)  
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)  

Got a better number? Please email us at cccbdb@nist.gov


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