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' |
1885 |
|
webbook |
|
|
|
|
CO stretch |
2 |
A' |
570 |
|
|
|
|
|
|
CCl stretch |
3 |
A' |
335 |
|
|
|
|
|
|
bend |
vibrational zero-point energy: 1394.6 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
ClCO (carbonyl monochloride).
Geometric Data
Point Group Cs
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 ClCO (carbonyl monochloride).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
C=O |
1 |
C-Cl |
1 |
Connectivity
Atom 1 |
Atom 2 |
Cl1 |
C2 |
C2 |
O3 |
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 |
2A' |
Cs |
True |
|
|
|
|
|
|
Cs |
2 |
3 |
1 |
2 |
2Σ |
C∞v |
False |
|
|
|
|
|
|
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
ClCO (carbonyl monochloride).
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 |
2A' |
Cs |
True |
|
|
|
|
|
Cs |
2 |
3 |
1 |
2 |
2Σ |
C∞v |
False |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
ClCO (carbonyl monochloride).