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 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH3 | Phosphine | -0.017 |
Most positive difference | HPO | Hydrogen phosphorus oxide | 0.021 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH3 | Phosphine | 1.421 | -0.017 |
CH3PH2 | Methyl phosphine | 1.423 | -0.016 |
P2H4 | Diphosphine | 1.417 | -0.010 |
P2H4 | Diphosphine | 1.414 | -0.008 |
CH2PH | Phosphaethene | 1.420 | -0.003 |
PH | phosphorus monohydride | 1.422 | 0.001 |
HPO | Hydrogen phosphorus oxide | 1.433 | 0.021 |