Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | C2H5Br | Ethyl bromide | -0.002 |
Most positive difference | CH2I2 | Diiodomethane | 0.016 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
C2H5Br | Ethyl bromide | 1.093 | -0.002 |
C2H5Br | Ethyl bromide | 1.087 | -0.002 |
CH3I | methyl iodide | 1.084 | -0.001 |
CH3Br | methyl bromide | 1.082 | 0.000 |
CH2Br2 | dibromomethane | 1.079 | 0.002 |
CH2I2 | Diiodomethane | 1.066 | 0.016 |