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 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | BrCN | Cyanogen bromide | 0.044 |
Most positive difference | CBr | Carbon monobromide | 0.139 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
BrCN | Cyanogen bromide | 1.789 | 0.044 |
CH2BrCl | Methane, bromochloro- | 1.928 | 0.048 |
HCCBr | bromoacetylene | 1.792 | 0.051 |
CHFClBr | fluorochlorobromomethane | 1.928 | 0.056 |
CBr4 | Carbon tetrabromide | 1.942 | 0.057 |
C2H5Br | Ethyl bromide | 1.950 | 0.062 |
CH2Br2 | dibromomethane | 1.925 | 0.064 |
CF3Br | Bromotrifluoromethane | 1.923 | 0.069 |
CH3Br | methyl bromide | 1.934 | 0.071 |
CH2BrF | Methane, bromofluoro- | 1.915 | 0.105 |
CBr | Carbon monobromide | 1.821 | 0.139 |