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 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.200 | -0.180 | -0.160 | -0.140 | -0.120 | -0.100 | -0.080 | -0.060 | -0.040 | -0.020 | 0.000 | 0.020 | 0.040 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | B2 | Boron diatomic | -0.185 |
Most positive difference | B4H10 | Tetraborane(10) | 0.008 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
B2 | Boron diatomic | 1.590 | -0.185 |
B2Cl4 | Diboron tetrachloride | 1.702 | -0.032 |
B2F4 | Diboron tetrafluoride | 1.720 | -0.011 |
B5H9 | pentaborane9 | 1.687 | -0.005 |
B4H10 | Tetraborane(10) | 1.856 | 0.007 |
B4H10 | Tetraborane(10) | 1.705 | 0.008 |