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 | ||||||||||||||||||||||||||||||||||||||||
-0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CFCl | chlorofluoromethylene | -0.043 |
Most positive difference | CF2 | Difluoromethylene | -0.011 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CFCl | chlorofluoromethylene | 1.320 | -0.043 |
C3F6 | hexafluoropropene | 1.329 | -0.033 |
CH2BrF | Methane, bromofluoro- | 1.375 | -0.029 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.341 | -0.028 |
C2H4F2 | 1,2-difluoroethane | 1.390 | -0.025 |
CHFClBr | fluorochlorobromomethane | 1.356 | -0.024 |
CF2CCl2 | difluorodichloroethylene | 1.315 | -0.018 |
CH3F | Methyl fluoride | 1.383 | -0.018 |
CH2CHCH2F | Allyl Fluoride | 1.382 | -0.017 |
CF | Fluoromethylidyne | 1.276 | -0.016 |
CF3Br | Bromotrifluoromethane | 1.327 | -0.014 |
CF2 | Difluoromethylene | 1.297 | -0.011 |