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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| A | B | C |
|---|---|---|
| 1.39893 | 0.12358 | 0.11355 |
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rClO | 1.696 | 1 | 2 | 1995Sug/Aya:259 | |||
| aClOCl | 110.88 | 2 | 1 | 3 | 1995Sug/Aya:259 | ||
| Bond Type | Count |
|---|---|
| O-Cl | 2 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| O1 | 0.0000 | 0.0000 | 0.7788 |
| Cl2 | 0.0000 | 1.3966 | -0.1832 |
| Cl3 | 0.0000 | -1.3966 | -0.1832 |
| O1 | Cl2 | Cl3 | |
|---|---|---|---|
| O1 | 1.6959 | 1.6959 | |
| Cl2 | 1.6959 | 2.7933 | |
| Cl3 | 1.6959 | 2.7933 |
| squib | reference | DOI |
|---|---|---|
| 1995Sug/Aya:259 | Sugie, Ayabe, Takeo, Matsumura, Microwave spectra of dichlorine monoxide in its excited vibrational states, J.of Mol. Struct., Vol. 352/353, pgs. 259-265 | 10.1016/0022-2860(95)08831-F |
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