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 |
rOH |
0.912 |
|
2 |
3 |
|
|
1973Pea/Tru:826 |
|
rOK |
2.212 |
|
1 |
2 |
|
|
1973Pea/Tru:826 |
|
aHOK |
180 |
|
1 |
2 |
3 |
|
|
|
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
K1 |
0.0000 |
0.0000 |
2.2115 |
O2 |
0.0000 |
0.0000 |
0.0000 |
H3 |
0.0000 |
0.0000 |
-0.9120 |
Atom - Atom Distances
Distances in Å
|
K1 |
O2 |
H3 |
K1 |
|
2.2115 | 3.1235 |
O2 |
2.2115 |
|
0.9120 |
H3 |
3.1235 | 0.9120 |
|
Calculated geometries
for KOH (Potassium hydroxide).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
K1 |
O2 |
H3 |
180.000 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
H-O |
1 |
O-K |
1 |
Connectivity
Atom 1 |
Atom 2 |
K1 |
O2 |
O2 |
H3 |
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 |
1Σ |
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
KOH (Potassium hydroxide).
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 |
1Σ |
C∞v |
True |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
KOH (Potassium hydroxide).