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 | ||||||||||||||||||||||||||||||||||||||||
-0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | SiCl4 | Silane, tetrachloro- | -0.003 |
Most positive difference | HSiCl | Chlorosilylene | 0.016 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
SiCl4 | Silane, tetrachloro- | 2.019 | -0.003 |
SiCl2 | Dichlorosilylene | 2.076 | 0.002 |
SiH3Cl | chlorosilane | 2.051 | 0.010 |
SiH2Cl2 | dichlorosilane | 2.033 | 0.013 |
SiHCl3 | Trichlorosilane | 2.020 | 0.016 |
SiCl3CH3 | methyltrichlorosilane | 2.026 | 0.016 |
SiCl | Clorosilylidyne | 2.061 | 0.016 |
HSiCl | Chlorosilylene | 2.067 | 0.016 |