Geometric Data
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 |
rBC |
1.491 |
0.000 |
1 |
2 |
|
|
1990Fer/Obr:8482 |
|
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
B1 |
0.0000 |
0.0000 |
0.0000 |
C2 |
0.0000 |
0.0000 |
1.4912 |
Atom - Atom Distances
Distances in Å
|
B1 |
C2 |
B1 |
|
1.4912 |
C2 |
1.4912 |
|
Calculated geometries
for BC (boron monocarbide).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Dipole, Quadrupole and Polarizability
Electric dipole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
x |
y |
z |
total |
dipole |
quadrupole |
1 |
1 |
4Σ- |
C∞v |
True |
|
|
|
|
|
|
C∞v |
1 |
1 |
2 |
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
BC (boron monocarbide).
Electric quadrupole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
xx |
yy |
zz |
dipole |
quadrupole |
1 |
1 |
4Σ- |
C∞v |
True |
|
|
|
|
|
C∞v |
1 |
1 |
2 |
1 |
2Π |
C∞v |
True |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
BC (boron monocarbide).