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18 10 26 16 45

QCISD/3-21G* for rBN

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 B3N3H6 borazine0.021
Most positive difference BH3NH3 borane ammonia0.060

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
B3N3H6 borazine 1.436 0.021
BH2NH2 Boranamine 1.391 0.022
NH3BF3 Amminetrifluoroboron 1.673 0.025
BN boron nitride 1.325 0.050
BH3NH3 borane ammonia 1.645 0.060