Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.008 | -0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PCl5 | Phosphorus pentachloride | -0.006 |
Most positive difference | PCl5 | Phosphorus pentachloride | 0.011 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PCl5 | Phosphorus pentachloride | 2.020 | -0.006 |
PCl3 | Phosphorus trichloride | 2.043 | -0.002 |
OPCl | Phosphorus oxychloride | 2.059 | -0.001 |
Cl3PO | Phosphoryl chloride | 1.989 | 0.002 |
PCl5 | Phosphorus pentachloride | 2.124 | 0.011 |