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 | ||||||||||||||||||||||||||||||||||||||||
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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 | ClNO | Nitrosyl chloride | 0.124 |
Most positive difference | NCl | nitrogen monochloride | 0.192 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClNO | Nitrosyl chloride | 1.975 | 0.124 |
NHCl2 | dichloroamine | 1.760 | 0.157 |
NCl3 | nitrogen trichloride | 1.754 | 0.181 |
NCl | nitrogen monochloride | 1.611 | 0.192 |