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 | H2CSe | Selenoformaldehyde | -0.031 |
Most positive difference | C4H4Se | selenophene | -0.015 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2CSe | Selenoformaldehyde | 1.753 | -0.031 |
CSe2 | Carbon diselenide | 1.692 | -0.026 |
CSe | Carbon monoselenide | 1.676 | -0.023 |
CH3SeCH3 | dimethylselenide | 1.943 | -0.019 |
SCSe | Carbon sulfide selenide | 1.695 | -0.018 |
C4H4Se | selenophene | 1.855 | -0.015 |