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 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -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 | SiH | Silylidyne | -0.012 |
Most positive difference | SiHF3 | trifluorosilane | 0.058 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
SiH | Silylidyne | 1.520 | -0.012 |
HSiCl | Chlorosilylene | 1.525 | -0.012 |
HSiBr | monobromosilylene | 1.518 | 0.003 |
SiH2Cl2 | dichlorosilane | 1.480 | 0.006 |
CH3SiH3 | methyl silane | 1.483 | 0.011 |
SiH3Cl | chlorosilane | 1.475 | 0.013 |
SiH3 | Silyl radical | 1.468 | 0.014 |
Si2H6 | disilane | 1.470 | 0.017 |
SiH3F | monofluorosilane | 1.476 | 0.023 |
SiH2F2 | difluorosilane | 1.462 | 0.045 |
SiHF3 | trifluorosilane | 1.449 | 0.058 |