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18 10 26 16 45

BLYP/3-21G for rPP

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference P2 Phosphorus diatomic0.104
Most positive difference P4 Phosphorus tetramer0.255

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
P2 Phosphorus diatomic 1.893 0.104
P2H4 Diphosphine 2.219 0.216
P4 Phosphorus tetramer 2.210 0.255