IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31TPSSh/aug-cc-pVTZ for rPH
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.010 are in the 0.010 bin. Differences less than -0.002 are in the -0.002 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.002 | -0.001 | 0.000 | 0.001 | 0.002 | 0.003 | 0.004 | 0.005 | 0.006 | 0.007 | 0.008 | 0.009 | 0.010 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | PH3 | Phosphine | -0.002 |
Most positive difference | PH | phosphorus monohydride | 0.007 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
PH3 | Phosphine | 1.421 | -0.002 |
PH3 | Phosphine | 1.421 | -0.002 |
PH | phosphorus monohydride | 1.422 | 0.007 |