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 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.060 | -0.055 | -0.050 | -0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClF5 | chlorinepentafluoride | -0.056 |
Most positive difference | ClF | Chlorine monofluoride | -0.001 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClF5 | chlorinepentafluoride | 1.650 | -0.056 |
ClF3 | Chlorine trifluoride | 1.697 | -0.003 |
ClF3 | Chlorine trifluoride | 1.597 | -0.001 |
ClF | Chlorine monofluoride | 1.628 | -0.001 |