Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
14 | |||||||||||||||||||||||||||||||
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.43 | 1.44 | 1.44 | 1.45 | 1.45 | 1.46 | 1.46 | 1.47 | 1.47 | 1.48 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.460 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.440 |
Highest value | N(SiH3)3 | trisilylamine | 1.470 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH | Silylidyne | 1.453 | 1 | 2 |
SiH3 | Silyl radical | 1.457 | 1 | 2 |
1.457 | 1 | 3 | ||
1.457 | 1 | 4 | ||
HSiF | fluorosilylene | 1.464 | 1 | 3 |
HSiCl | Chlorosilylene | 1.459 | 1 | 3 |
HSiBr | monobromosilylene | 1.456 | 1 | 3 |
Si2H2 | disilyne | 1.443 | 1 | 3 |
1.443 | 2 | 4 | ||
SiH3F | monofluorosilane | 1.458 | 1 | 3 |
1.458 | 1 | 4 | ||
1.458 | 1 | 5 | ||
SiH3Cl | chlorosilane | 1.461 | 1 | 3 |
1.461 | 1 | 4 | ||
1.461 | 1 | 5 | ||
Si2H4 | Disilene | 1.459 | 1 | 3 |
1.459 | 1 | 4 | ||
1.459 | 2 | 5 | ||
1.459 | 2 | 6 | ||
SiH3OH | silanol | 1.456 | 1 | 3 |
1.457 | 1 | 4 | ||
1.457 | 1 | 5 | ||
SiH3NH2 | Silane, amino | 1.468 | 1 | 3 |
1.466 | 1 | 4 | ||
1.466 | 1 | 5 | ||
SiH2F2 | difluorosilane | 1.450 | 1 | 4 |
1.450 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.461 | 1 | 2 |
1.461 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.440 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.470 | 2 | 5 |
1.470 | 2 | 8 | ||
1.470 | 2 | 9 | ||
1.470 | 3 | 6 | ||
1.470 | 3 | 10 | ||
1.470 | 3 | 11 | ||
1.470 | 4 | 7 | ||
1.470 | 4 | 12 | ||
1.470 | 4 | 13 |