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 | ||||||||||||||||||||||||||||||||||||||||
-0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | 0.055 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | SiH2Cl2 | dichlorosilane | 0.009 |
Most positive difference | SiH+ | silicon monohydride cation | 0.037 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
SiH2Cl2 | dichlorosilane | 1.480 | 0.009 |
SiH3Br | bromosilane | 1.481 | 0.013 |
SiH4 | Silane | 1.480 | 0.016 |
CH3SiH3 | methyl silane | 1.483 | 0.017 |
SiH3Cl | chlorosilane | 1.475 | 0.019 |
SiHCl3 | Trichlorosilane | 1.464 | 0.019 |
SiH3F | monofluorosilane | 1.476 | 0.021 |
SiH2(CH3)2 | dimethylsilane | 1.482 | 0.022 |
SiH3+ | Silyl cation | 1.460 | 0.028 |
Si2H6 | disilane | 1.470 | 0.029 |
SiH2 | silicon dihydride | 1.514 | 0.030 |
SiH3 | Silyl radical | 1.468 | 0.031 |
SiH | Silylidyne | 1.520 | 0.033 |
SiH+ | silicon monohydride cation | 1.504 | 0.037 |