Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G(2df,p)
30 | ||||||||||||||||||||||||||||||||||
25 | ||||||||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.505 | 0.023 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHCl3 | Trichlorosilane | 1.481 |
Highest value | SiH- | silicon monohydride anion | 1.568 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH- | silicon monohydride anion | 1.568 | 1 | 2 |
SiH | Silylidyne | 1.546 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.539 | 1 | 2 |
SiH2- | silicon dihydride anion | 1.558 | 1 | 2 |
1.558 | 1 | 3 | ||
SiH2 | silicon dihydride | 1.538 | 1 | 2 |
1.538 | 1 | 3 | ||
SiH2+ | silicon dihydride cation | 1.510 | 1 | 2 |
1.510 | 1 | 3 | ||
SiH3- | Silyl anion | 1.549 | 1 | 2 |
1.549 | 1 | 3 | ||
1.549 | 1 | 4 | ||
SiH3 | Silyl radical | 1.495 | 1 | 2 |
1.495 | 1 | 3 | ||
1.495 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.487 | 1 | 2 |
1.487 | 1 | 3 | ||
1.487 | 1 | 4 | ||
SiH4 | Silane | 1.493 | 1 | 2 |
1.493 | 1 | 3 | ||
1.493 | 1 | 4 | ||
1.493 | 1 | 5 | ||
SiH3F | monofluorosilane | 1.494 | 1 | 3 |
1.494 | 1 | 4 | ||
1.494 | 1 | 5 | ||
SiH3Cl | chlorosilane | 1.491 | 1 | 3 |
1.491 | 1 | 4 | ||
1.491 | 1 | 5 | ||
SiH3Br | bromosilane | 1.491 | 1 | 3 |
1.491 | 1 | 4 | ||
1.491 | 1 | 5 | ||
CH2SiH2 | silaethylene | 1.488 | 2 | 5 |
1.488 | 2 | 6 | ||
CH3SiH3 | methyl silane | 1.497 | 2 | 6 |
1.497 | 2 | 7 | ||
1.497 | 2 | 8 | ||
Si2H6 | disilane | 1.496 | 1 | 3 |
1.496 | 1 | 4 | ||
1.496 | 1 | 5 | ||
1.496 | 2 | 6 | ||
1.496 | 2 | 7 | ||
1.496 | 2 | 8 | ||
SiH2Cl2 | dichlorosilane | 1.487 | 1 | 2 |
1.487 | 1 | 3 | ||
SiH2(CH3)2 | dimethylsilane | 1.501 | 1 | 2 |
1.501 | 1 | 3 | ||
SiHCl3 | Trichlorosilane | 1.481 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.491 | 1 | 3 |
1.491 | 1 | 4 | ||
1.491 | 1 | 5 |