Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.200 | -0.150 | -0.100 | -0.050 | 0.000 | 0.050 | 0.100 | 0.150 | 0.200 | 0.250 | 0.300 | 0.350 | 0.400 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | -0.178 |
Most positive difference | Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 0.207 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.240 | -0.178 |
AlCl | Aluminum monochloride | 2.130 | 0.030 |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 2.040 | 0.207 |