IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31QCISD(TQ)=FULL/6-311+G(3df,2p) for rPH
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.005 are in the 0.005 bin. Differences less than -0.007 are in the -0.007 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.007 | -0.006 | -0.005 | -0.004 | -0.003 | -0.002 | -0.001 | 0.000 | 0.001 | 0.002 | 0.003 | 0.004 | 0.005 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH3 | Phosphine | -0.006 |
Most positive difference | PH | phosphorus monohydride | 0.003 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH3 | Phosphine | 1.421 | -0.006 |
PH | phosphorus monohydride | 1.422 | 0.003 |