File:S-Epichlorohydrin-calculated-MP2-3D-balls.png
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editDescriptionS-Epichlorohydrin-calculated-MP2-3D-balls.png |
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:
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 |
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Date | Original R: 2012-02-09; edited to this S: 2018-05-16 | |||
Source |
This file was derived from: R-Epichlorohydrin-calculated-MP2-3D-balls.png |
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Author | Ben Mills (converted from R to S by DMacks (talk)) | |||
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current | 15:34, 16 May 2018 | 2,000 × 1,921 (490 KB) | DMacks (talk | contribs) | {{Information |Description = Ball-and-stick model of the ''gauche-II'' (''g-II'') conformer of the ''S'' enantiomer of the epichlorohydrin molecule, C<sub>3</sub>H<sub>5</sub>ClO. The ''g-II'' conformation is calculated to be the global minimum structure of epichlorohydrin, and predominates in CCl<sub>4</sub> solution (but not in MeOH or DCM, where the ''g-I'' conformation is dominant). '''Colour code:'... |
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