IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31mPW1PW91/STO-3G for rPH
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH | phosphorus monohydride | -0.019 |
Most positive difference | HPO | Hydrogen phosphorus oxide | 0.014 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH | phosphorus monohydride | 1.422 | -0.019 |
PH3 | Phosphine | 1.421 | -0.016 |
PH3 | Phosphine | 1.421 | -0.015 |
CH2PH | Phosphaethene | 1.420 | -0.015 |
CH2PH | Phosphaethene | 1.420 | -0.004 |
PH | phosphorus monohydride | 1.422 | 0.001 |
PH | phosphorus monohydride | 1.422 | 0.001 |
PH+ | phosphorus monohydride cation | 1.435 | 0.014 |
HPO | Hydrogen phosphorus oxide | 1.433 | 0.014 |