Listing of experimental geometry data for ClOOCl (Dichlorine dioxide)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
| A |
B |
C |
| 0.43728 |
0.08038 |
0.07137 |
Rotational Constants from
1989Bir/Fri:6588
Calculated rotational constants
for ClOOCl (Dichlorine dioxide).
Point Group C2
Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
| Description |
Value |
Connectivity |
Reference |
Comment |
| Atom 1 |
Atom 2 |
Atom 3 |
Atom 4 |
| rOCl |
1.704 |
1 |
3 |
|
|
1998Kuc |
|
| rOO |
1.426 |
1 |
2 |
|
|
1998Kuc |
|
| aOOCl |
110.07 |
1 |
2 |
4 |
|
1998Kuc |
|
| dClOOCl |
81.03 |
3 |
1 |
2 |
4 |
1998Kuc |
|
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type |
Count |
| O-O |
1 |
| O-Cl |
2 |
| Atom |
x (Å) |
y (Å) |
z (Å) |
| O1
| 0.3275
| 0.6333
| 0.8274
|
| O2
| -0.3275
| -0.6333
| 0.8274
|
| Cl3
| -0.3275
| 1.6304
| -0.3894
|
| Cl4
| 0.3275
| -1.6304
| -0.3894
|
Atom - Atom Distances (Å)
| |
O1 |
O2 |
Cl3 |
Cl4 |
| O1 | | 1.4260 | 1.7040 | 2.5700 |
|---|
| O2 | 1.4260 | | 2.5700 | 1.7040 |
|---|
| Cl3 | 1.7040 | 2.5700 | | 3.3258 |
|---|
| Cl4 | 2.5700 | 1.7040 | 3.3258 | |
|---|
Calculated geometries
for ClOOCl (Dichlorine dioxide).
References
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| squib |
reference |
DOI |
| 1989Bir/Fri:6588 |
M Birk, RR Friedl, EA Cohen, HM Pickett, SP Sander "The rotational spectrum and structure of chlorine peroxide" J. Chem. Phys. 91(11) 6588, 1989 |
10.1063/1.457377 |
| 1998Kuc |
K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |
|
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