Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-31G*
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.637 | 0.057 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.555 |
Highest value | Al2H6 | dialane | 1.739 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH- | aluminum monohydride anion | 1.707 | 1 | 2 |
AlH | aluminum monohydride | 1.662 | 1 | 2 |
AlH+ | aluminum monohydride cation | 1.619 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.699 | 1 | 2 |
1.699 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.603 | 1 | 2 |
1.603 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.555 | 1 | 2 |
1.555 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.636 | 1 | 2 |
1.636 | 1 | 3 | ||
1.636 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.584 | 1 | 2 |
1.584 | 1 | 3 | ||
1.584 | 1 | 4 | ||
AlH3+ | aluminum trihydride cation | 1.647 | 1 | 2 |
1.647 | 1 | 3 | ||
1.647 | 1 | 4 | ||
AlH4- | Aluminum tetrahydride anion | 1.641 | 1 | 2 |
1.641 | 1 | 3 | ||
1.641 | 1 | 4 | ||
1.641 | 1 | 5 | ||
Al2H6 | dialane | 1.739 | 1 | 3 |
1.739 | 2 | 3 | ||
1.739 | 2 | 4 | ||
1.739 | 1 | 4 | ||
1.573 | 1 | 5 | ||
1.573 | 1 | 6 | ||
1.573 | 2 | 7 | ||
1.573 | 2 | 8 |