Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/cc-pVTZ
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.023 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiCl3 | trichlorosilyl radical | 1.893 |
Highest value | SiCl- | silicon monochloride anion | 2.168 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiCl- | silicon monochloride anion | 2.168 | 1 | 2 |
SiCl | Clorosilylidyne | 2.086 | 1 | 2 |
SiCl+ | silicon monochloride cation | 2.003 | 1 | 2 |
HSiCl | Chlorosilylene | 2.096 | 1 | 2 |
SiH3Cl | chlorosilane | 2.069 | 1 | 2 |
SiCl2 | Dichlorosilylene | 2.091 | 1 | 2 |
2.091 | 1 | 3 | ||
SiH2Cl2 | dichlorosilane | 2.055 | 1 | 4 |
2.055 | 1 | 5 | ||
SiCl3 | trichlorosilyl radical | 1.893 | 1 | 2 |
1.893 | 1 | 3 | ||
1.893 | 1 | 4 | ||
SiCl3+ | trichlorosilyl cation | 1.959 | 1 | 2 |
1.959 | 1 | 3 | ||
1.959 | 1 | 4 | ||
SiHCl3 | Trichlorosilane | 2.048 | 1 | 3 |
2.048 | 1 | 4 | ||
2.048 | 1 | 5 | ||
SiCl4 | Silane, tetrachloro- | 2.024 | 1 | 2 |
2.024 | 1 | 3 | ||
2.024 | 1 | 4 | ||
2.024 | 1 | 5 |