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18 10 26 16 45

HF/Def2TZVPP for rPCl

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 -0.080 are in the -0.080 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.080 -0.070 -0.060 -0.050 -0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PCl3 Phosphorus trichloride-0.074
Most positive difference PCl phosphorus chloride0.018

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PCl3 Phosphorus trichloride 2.043 -0.074
PCl5 Phosphorus pentachloride 2.020 -0.004
OPCl Phosphorus oxychloride 2.059 -0.003
Cl3PO Phosphoryl chloride 1.989 0.005
PCl5 Phosphorus pentachloride 2.124 0.011
PCl phosphorus chloride 2.018 0.018