Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.070 | -0.060 | -0.050 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PCl3 | Phosphorus trichloride | -0.068 |
Most positive difference | OPCl | Phosphorus oxychloride | 0.020 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PCl3 | Phosphorus trichloride | 2.043 | -0.068 |
PCl5 | Phosphorus pentachloride | 2.124 | 0.015 |
PCl5 | Phosphorus pentachloride | 2.020 | 0.018 |
Cl3PO | Phosphoryl chloride | 1.989 | 0.019 |
PCl | phosphorus chloride | 2.018 | 0.019 |
OPCl | Phosphorus oxychloride | 2.059 | 0.020 |