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18 10 26 16 45

B3LYP/CEP-121G for rCP

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 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 histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCP Phosphaethyne0.043
Most positive difference CH3PH2 Methyl phosphine0.075

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCP Phosphaethyne 1.542 0.043
CH2PH Phosphaethene 1.673 0.051
CP Carbon monophosphide 1.562 0.060
CH3PH2 Methyl phosphine 1.858 0.075