Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | 0.022 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2CSe | Selenoformaldehyde | 0.010 |
Most positive difference | OCSe | Carbonyl selenide | 0.021 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2CSe | Selenoformaldehyde | 1.753 | 0.010 |
CH3SeH | Methane selenol | 1.959 | 0.010 |
CSe2 | Carbon diselenide | 1.692 | 0.013 |
SCSe | Carbon sulfide selenide | 1.695 | 0.015 |
CSe | Carbon monoselenide | 1.676 | 0.017 |
CH3SeCH3 | dimethylselenide | 1.943 | 0.018 |
C4H4Se | selenophene | 1.855 | 0.021 |
OCSe | Carbonyl selenide | 1.709 | 0.021 |