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 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -0.018 | -0.016 | -0.014 | -0.012 | -0.010 | -0.008 | -0.006 | -0.004 | -0.002 | -0.000 | 0.002 | 0.004 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH2 | Phosphino radical | -0.018 |
Most positive difference | HPO | Hydrogen phosphorus oxide | 0.004 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH2 | Phosphino radical | 1.428 | -0.018 |
CH3PH2 | Methyl phosphine | 1.423 | -0.016 |
PH3 | Phosphine | 1.421 | -0.015 |
P2H4 | Diphosphine | 1.417 | -0.013 |
P2H4 | Diphosphine | 1.414 | -0.011 |
PH | phosphorus monohydride | 1.422 | -0.010 |
CH2PH | Phosphaethene | 1.420 | -0.009 |
HPO | Hydrogen phosphorus oxide | 1.433 | 0.004 |