Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3SeH | Methane selenol | -0.032 |
Most positive difference | CSe | Carbon monoselenide | 0.007 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3SeH | Methane selenol | 1.959 | -0.032 |
C4H4Se | selenophene | 1.855 | -0.025 |
CH3SeCH3 | dimethylselenide | 1.943 | -0.021 |
OCSe | Carbonyl selenide | 1.709 | -0.017 |
H2CSe | Selenoformaldehyde | 1.753 | -0.009 |
SCSe | Carbon sulfide selenide | 1.695 | -0.008 |
CSe2 | Carbon diselenide | 1.692 | -0.007 |
CSe | Carbon monoselenide | 1.676 | 0.007 |