Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.194 | 0.104 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3+ | trichlorosilyl cation | 2.092 |
Highest value | SiCl- | silicon monochloride anion | 2.497 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.497 | 1 | 2 |
SiCl | Clorosilylidyne | 2.259 | 1 | 2 |
SiCl+ | silicon monochloride cation | 2.113 | 1 | 2 |
HSiCl | Chlorosilylene | 2.263 | 1 | 2 |
SiH3Cl | chlorosilane | 2.217 | 1 | 2 |
SiH2Cl2 | dichlorosilane | 2.190 | 1 | 4 |
2.190 | 1 | 5 | ||
SiCl3+ | trichlorosilyl cation | 2.092 | 1 | 2 |
2.092 | 1 | 3 | ||
2.092 | 1 | 4 | ||
SiCl3CH3 | methyltrichlorosilane | 2.174 | 1 | 3 |
2.174 | 1 | 4 | ||
2.174 | 1 | 5 |