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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0 | ||||||||||||||||||||||||||||||||||||||||
-0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | 0.100 | 0.110 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH2PH | Phosphaethene | 0.076 |
Most positive difference | HCP | Phosphaethyne | 0.089 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH2PH | Phosphaethene | 1.673 | 0.076 |
CH3PH2 | Methyl phosphine | 1.858 | 0.081 |
CP | Carbon monophosphide | 1.562 | 0.083 |
HCP | Phosphaethyne | 1.542 | 0.089 |