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Experimental data for BeC (Beryllium Carbide)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/C.Be XBJYWZKBHDUHGE-UHFFFAOYSA-N [Be][C]
State Conformation
3Σ- 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

Calculated vibrational frequencies for BeC (Beryllium Carbide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for BeC (Beryllium Carbide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Beryllium Carbide

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

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for BeC (Beryllium Carbide).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Be1 C2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 3   3Σ-
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 3Σ- C∞v True           C∞v 1 1
2 1 5Σ C∞v True          
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 BeC (Beryllium Carbide).
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 3Σ- C∞v True       C∞v 1 1
2 1 5Σ C∞v True      

Calculated electric quadrupole moments for BeC (Beryllium Carbide).

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