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18 10 26 16 45

LSDA/STO-3G for rFP

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 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
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PF phosphorus monofluoride0.055
Most positive difference F3PO Phosphoryl fluoride0.143

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PF phosphorus monofluoride 1.593 0.055
PF5 Phosphorus pentafluoride 1.577 0.096
PF+ phosphorus monofluoride cation 1.500 0.096
PF3 Phosphorus trifluoride 1.561 0.109
F3PO Phosphoryl fluoride 1.524 0.143