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 | ||||||||||||||||||||||||||||||||||||||||
-0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | B2H6 | Diborane | -0.033 |
Most positive difference | B2H6 | Diborane | 0.018 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
B2H6 | Diborane | 1.200 | -0.033 |
BH3NH3 | borane ammonia | 1.206 | -0.032 |
BH2NH2 | Boranamine | 1.195 | -0.025 |
HBS | hydrogen boron sulfide | 1.169 | -0.012 |
HBO | Boron hydride oxide | 1.166 | -0.010 |
BH | Boron monohydride | 1.232 | 0.011 |
B2H6 | Diborane | 1.320 | 0.018 |