Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2CSe | Selenoformaldehyde | -0.006 |
Most positive difference | C4H4Se | selenophene | 0.039 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2CSe | Selenoformaldehyde | 1.753 | -0.006 |
CSe2 | Carbon diselenide | 1.692 | -0.003 |
SCSe | Carbon sulfide selenide | 1.695 | 0.001 |
CSe | Carbon monoselenide | 1.676 | 0.009 |
CH3SeH | Methane selenol | 1.959 | 0.024 |
CH3SeCH3 | dimethylselenide | 1.943 | 0.033 |
OCSe | Carbonyl selenide | 1.709 | 0.034 |
C4H4Se | selenophene | 1.855 | 0.039 |