S-Epichlorohydrin-calculated-MP2-3D-balls
Ball-and-stick model of the gauche-II (g-II) conformer of the S enantiomer of the epichlorohydrin molecule, C3H5ClO. The g-II conformation is calculated to be the global minimum structure of epichlorohydrin, and predominates in CCl4 solution (but not in MeOH or DCM, where the g-I conformation is dominant).
Colour code:
- Carbon, C: grey-black
- Hydrogen, H: white
- Chlorine, Cl: green
- Oxygen, O: red
Conformation based on Phys. Chem. Chem. Phys. (2011) 13, 12517-12528 and Chirality (2002) 15, (S1) S143–S149.
Structure calculated with Spartan Student 4.1, using the MP2 level of theory and the 6-311+G** basis set.
Image of the R enantiomer generated in Accelrys DS Visualizer, flipped graphically to convert to S![]() |
Detta verk har gjorts tillgänglig som public domain av dess skapare, Benjah-bmm27. Detta gäller globalt. I vissa länder kan detta inte vara juridiskt möjligt; i så fall: |
Mer information om licensen för bilden finns här. Senaste uppdateringen: Sat, 14 Jan 2023 23:27:35 GMT