Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.007 | -0.006 | -0.005 | -0.004 | -0.003 | -0.002 | -0.001 | 0.000 | 0.001 | 0.002 | 0.003 | 0.004 | 0.005 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3SeCH3 | dimethylselenide | -0.007 |
Most positive difference | CSe | Carbon monoselenide | 0.004 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3SeCH3 | dimethylselenide | 1.943 | -0.007 |
H2CSe | Selenoformaldehyde | 1.753 | -0.003 |
C4H4Se | selenophene | 1.855 | -0.003 |
SCSe | Carbon sulfide selenide | 1.695 | -0.001 |
CSe2 | Carbon diselenide | 1.692 | -0.001 |
OCSe | Carbonyl selenide | 1.709 | -0.001 |
CSe | Carbon monoselenide | 1.676 | 0.004 |