File:R-Epichlorohydrin-calculated-MP2-3D-balls.png
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| Description |
Ball-and-stick model of the gauche-II (g-II) conformer of the R 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:
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 generated in Accelrys DS Visualizer. |
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| Date | |||
| Source | Own work | ||
| Author | Ben Mills | ||
| Permission (Reusing this file) |
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| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 23:13, 9 February 2012 | | 2,000 × 1,921 (333 KB) | commons>Benjah-bmm27 | {{Information |Description = Ball-and-stick model of the ''gauche-II'' (''g-II'') conformer of the ''R'' enantiomer of the epichlorohydrin molecule, C<sub>3</sub>H<s |
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