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18 10 26 16 45

B2PLYP=FULL/TZVP for rCSe

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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 histogram chart histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference H2CSe Selenoformaldehyde0.004
Most positive difference CH3SeCH3 dimethylselenide0.017

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2CSe Selenoformaldehyde 1.753 0.004
OCSe Carbonyl selenide 1.709 0.005
SCSe Carbon sulfide selenide 1.695 0.009
CSe Carbon monoselenide 1.676 0.009
CSe2 Carbon diselenide 1.692 0.010
C4H4Se selenophene 1.855 0.016
CH3SeCH3 dimethylselenide 1.943 0.017