Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | 0.055 | ||||||||||||||||||||||||||||
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 | 0.040 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3PH2 | Methyl phosphine | 1.423 | 0.006 |
PH3 | Phosphine | 1.421 | 0.008 |
P2H4 | Diphosphine | 1.417 | 0.011 |
P2H4 | Diphosphine | 1.414 | 0.014 |
CH2PH | Phosphaethene | 1.420 | 0.016 |
PH | phosphorus monohydride | 1.422 | 0.017 |
HPO | Hydrogen phosphorus oxide | 1.433 | 0.040 |