Vibrational levels (cm-1)
| Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
| Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
| 1 |
A' |
3626 |
|
webbook |
|
|
|
|
|
| 2 |
A' |
1070 |
|
|
|
|
|
|
|
| 3 |
A' |
575 |
|
|
|
|
|
|
|
vibrational zero-point energy: 2635.3 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
HOI (Hypoiodous acid).
Geometric Data
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
| Atom |
x (Å) |
y (Å) |
z (Å) |
| O1 |
0.0151 |
1.7009 |
0.0000 |
| I2 |
0.0151 |
-0.2932 |
0.0000 |
| H3 |
-0.9236 |
1.9330 |
0.0000 |
Atom - Atom Distances
Distances in Å
| |
O1 |
I2 |
H3 |
| O1 |
|
1.9941 | 0.9670 |
| I2 |
1.9941 |
|
2.4161 |
| H3 |
0.9670 | 2.4161 |
|
Calculated geometries
for HOI (Hypoiodous acid).
Experimental Bond Angles (degrees) from cartesians
| atom1 |
atom2 |
atom3 |
angle |
| I2 |
O1 |
H3 |
103.890 |
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-I |
1 |
Connectivity
| Atom 1 |
Atom 2 |
| O1 |
I2 |
| O1 |
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 |
1A' |
Cs |
True |
|
|
|
|
|
|
Cs |
2 |
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
HOI (Hypoiodous acid).
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 |
1A' |
Cs |
True |
|
|
|
|
|
Cs |
2 |
3 |
Calculated electric quadrupole moments for
HOI (Hypoiodous acid).