IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31BLYP/6-31+G** for rBF
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | 0.055 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | BClF2 | Chlorodifluoroborane | 0.020 |
Most positive difference | BF3 | Borane, trifluoro- | 0.028 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
BClF2 | Chlorodifluoroborane | 1.315 | 0.020 |
BF | Boron monofluoride | 1.267 | 0.024 |
BF | Boron monofluoride | 1.267 | 0.024 |
B2F4 | Diboron tetrafluoride | 1.317 | 0.026 |
BHF2 | Difluoroborane | 1.311 | 0.027 |
BF3 | Borane, trifluoro- | 1.307 | 0.028 |