Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | BHCl2 | Borane, dichloro- | 0.065 |
Most positive difference | BCl | boron monochloride | 0.123 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
BHCl2 | Borane, dichloro- | 1.750 | 0.065 |
BClF2 | Chlorodifluoroborane | 1.728 | 0.071 |
B2Cl4 | Diboron tetrachloride | 1.750 | 0.074 |
BCl3 | Borane, trichloro- | 1.742 | 0.075 |
BCl | boron monochloride | 1.719 | 0.123 |