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 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3PH2 | Methyl phosphine | -0.006 |
Most positive difference | HPO | Hydrogen phosphorus oxide | 0.017 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3PH2 | Methyl phosphine | 1.423 | -0.006 |
PH2 | Phosphino radical | 1.428 | -0.002 |
PH3 | Phosphine | 1.421 | -0.001 |
P2H4 | Diphosphine | 1.417 | -0.001 |
P2H4 | Diphosphine | 1.414 | 0.001 |
CH2PH | Phosphaethene | 1.420 | 0.002 |
PH | phosphorus monohydride | 1.422 | 0.013 |
HPO | Hydrogen phosphorus oxide | 1.433 | 0.017 |