Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/STO-3G
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1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.456 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiH2D2 | silane-d2 | 1.439 |
Highest value | Si2H2 | disilyne | 1.677 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH | Silylidyne | 1.498 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.502 | 1 | 2 |
SiH3 | Silyl radical | 1.447 | 1 | 2 |
1.447 | 1 | 3 | ||
1.447 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.457 | 1 | 2 |
1.457 | 1 | 3 | ||
1.457 | 1 | 4 | ||
SiH4 | Silane | 1.439 | 1 | 2 |
1.439 | 1 | 3 | ||
1.439 | 1 | 4 | ||
1.439 | 1 | 5 | ||
SiH2D2 | silane-d2 | 1.439 | 1 | 2 |
1.439 | 1 | 3 | ||
HSiF | fluorosilylene | 1.504 | 1 | 3 |
HSiCl | Chlorosilylene | 1.491 | 1 | 3 |
HSiBr | monobromosilylene | 1.491 | 1 | 3 |
Si2H2 | disilyne | 1.677 | 1 | 3 |
1.677 | 2 | 4 | ||
SiH3F | monofluorosilane | 1.445 | 1 | 3 |
1.445 | 1 | 4 | ||
1.445 | 1 | 5 | ||
SiH3Cl | chlorosilane | 1.442 | 1 | 3 |
1.442 | 1 | 4 | ||
1.442 | 1 | 5 | ||
SiH3Br | bromosilane | 1.442 | 1 | 3 |
1.442 | 1 | 4 | ||
1.442 | 1 | 5 | ||
SiH3I | Silyl Iodide | 1.442 | 1 | 3 |
1.442 | 1 | 4 | ||
1.442 | 1 | 5 | ||
Si2H4 | Disilene | 1.446 | 1 | 3 |
1.446 | 1 | 4 | ||
1.446 | 2 | 5 | ||
1.446 | 2 | 6 | ||
SiH3OH | silanol | 1.440 | 1 | 3 |
1.447 | 1 | 4 | ||
1.447 | 1 | 5 | ||
SiH3NH2 | Silane, amino | 1.448 | 1 | 3 |
1.441 | 1 | 4 | ||
1.441 | 1 | 5 | ||
Si2H6 | disilane | 1.441 | 1 | 3 |
1.441 | 1 | 4 | ||
1.441 | 1 | 5 | ||
1.441 | 2 | 6 | ||
1.441 | 2 | 7 | ||
1.441 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.449 | 1 | 4 |
1.449 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.444 | 1 | 2 |
1.444 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.450 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.442 | 2 | 5 |
1.446 | 2 | 8 | ||
1.446 | 2 | 9 | ||
1.442 | 3 | 6 | ||
1.446 | 3 | 10 | ||
1.446 | 3 | 11 | ||
1.442 | 4 | 7 | ||
1.446 | 4 | 12 | ||
1.446 | 4 | 13 |