IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31HF/6-31G for rPH
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | 0.022 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH+ | phosphorus monohydride cation | 0.003 |
Most positive difference | PH | phosphorus monohydride | 0.024 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH+ | phosphorus monohydride cation | 1.435 | 0.003 |
PH3 | Phosphine | 1.421 | 0.005 |
PH3 | Phosphine | 1.421 | 0.005 |
CH3PH2 | Methyl phosphine | 1.423 | 0.006 |
PH2 | Phosphino radical | 1.428 | 0.008 |
P2H4 | Diphosphine | 1.417 | 0.009 |
P2H4 | Diphosphine | 1.414 | 0.009 |
CH2PH | Phosphaethene | 1.420 | 0.015 |
HPO | Hydrogen phosphorus oxide | 1.433 | 0.018 |
PH | phosphorus monohydride | 1.422 | 0.022 |
PH | phosphorus monohydride | 1.422 | 0.023 |
PH | phosphorus monohydride | 1.422 | 0.024 |