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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
G3
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| 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.580 | 0.065 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | PF2+ | Phosphorus difluoride cation | 1.501 |
| Highest value | PF6 | Hexafluorophosphate neutral | 1.752 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PF- | phosphorus monofluoride anion | 1.698 | 1 | 2 |
| PF+ | phosphorus monofluoride cation | 1.509 | 1 | 2 |
| PF2 | Phosphorus difluoride | 1.581 | 1 | 2 |
| 1.581 | 1 | 3 | ||
| PF2+ | Phosphorus difluoride cation | 1.501 | 1 | 2 |
| 1.501 | 1 | 3 | ||
| PF3CH2 | phosphorane, trifluoromethylene- | 1.554 | 1 | 3 |
| 1.537 | 1 | 4 | ||
| 1.537 | 1 | 5 | ||
| PF5 | Phosphorus pentafluoride | 1.535 | 1 | 2 |
| 1.535 | 1 | 3 | ||
| 1.535 | 1 | 4 | ||
| 1.568 | 1 | 5 | ||
| 1.568 | 1 | 6 | ||
| PF6- | Hexafluorophosphate ion | 1.605 | 1 | 2 |
| 1.605 | 1 | 3 | ||
| 1.605 | 1 | 4 | ||
| 1.605 | 1 | 5 | ||
| 1.605 | 1 | 6 | ||
| 1.605 | 1 | 7 | ||
| PF6 | Hexafluorophosphate neutral | 1.546 | 1 | 2 |
| 1.546 | 1 | 3 | ||
| 1.562 | 1 | 4 | ||
| 1.562 | 1 | 5 | ||
| 1.752 | 1 | 6 | ||
| 1.752 | 1 | 7 |