IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31B2PLYP=FULL/Def2TZVPP for rPH
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.003 are in the 0.003 bin. Differences less than -0.009 are in the -0.009 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.009 | -0.008 | -0.007 | -0.006 | -0.005 | -0.004 | -0.003 | -0.002 | -0.001 | 0.000 | 0.001 | 0.002 | 0.003 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH3 | Phosphine | -0.009 |
Most positive difference | PH | phosphorus monohydride | -0.001 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH3 | Phosphine | 1.421 | -0.009 |
PH3 | Phosphine | 1.421 | -0.009 |
PH | phosphorus monohydride | 1.422 | -0.001 |