Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-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 | CH3SeH | Methane selenol | 0.047 |
Most positive difference | CSe | Carbon monoselenide | 0.160 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3SeH | Methane selenol | 1.959 | 0.047 |
OCSe | Carbonyl selenide | 1.709 | 0.050 |
CH3SeCH3 | dimethylselenide | 1.943 | 0.058 |
SCSe | Carbon sulfide selenide | 1.695 | 0.061 |
C4H4Se | selenophene | 1.855 | 0.067 |
CSe2 | Carbon diselenide | 1.692 | 0.067 |
CSe | Carbon monoselenide | 1.676 | 0.160 |