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 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | 0.100 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | B2Cl4 | Diboron tetrachloride | -0.012 |
Most positive difference | B2 | Boron diatomic | 0.080 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
B2Cl4 | Diboron tetrachloride | 1.702 | -0.012 |
B5H9 | pentaborane9 | 1.687 | 0.035 |
B4H10 | Tetraborane(10) | 1.705 | 0.041 |
B4H10 | Tetraborane(10) | 1.856 | 0.054 |
B2 | Boron diatomic | 1.590 | 0.080 |