Geometric Data
Point Group C2h
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 - Atom Distances
Distances in Å
Calculated geometries
for C
4F
4 (tetrafluorcyclobutadiene).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
C-C |
2 |
C=C |
2 |
C-F |
4 |
Connectivity
Atom 1 |
Atom 2 |
C1 |
C2 |
C1 |
C4 |
C1 |
F5 |
C2 |
C3 |
C2 |
F6 |
C3 |
C4 |
C3 |
F7 |
C4 |
F8 |
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 |
1A1G |
D4h |
False |
|
|
|
|
|
|
D4h |
0 |
1 |
1 |
2 |
1AG |
C2h |
True |
|
|
|
|
|
|
C2h |
0 |
3 |
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
C
4F
4 (tetrafluorcyclobutadiene).
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 |
1A1G |
D4h |
False |
|
|
|
|
|
D4h |
0 |
1 |
1 |
2 |
1AG |
C2h |
True |
|
|
|
|
|
C2h |
0 |
3 |
Calculated electric quadrupole moments for
C
4F
4 (tetrafluorcyclobutadiene).