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 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-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 | BClF2 | Chlorodifluoroborane | 0.033 |
Most positive difference | BCl | boron monochloride | 0.109 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
BClF2 | Chlorodifluoroborane | 1.728 | 0.033 |
BHCl2 | Borane, dichloro- | 1.750 | 0.035 |
BCl3 | Borane, trichloro- | 1.742 | 0.036 |
B2Cl4 | Diboron tetrachloride | 1.750 | 0.040 |
BCl | boron monochloride | 1.719 | 0.109 |