S-Epichlorohydrin-calculated-MP2-3D-balls.png
Summary
| Description |
Ball-and-stick model of the gauche-II ( g-II ) conformer of the S enantiomer of the epichlorohydrin molecule, C 3 H 5 ClO. The g-II conformation is calculated to be the global minimum structure of epichlorohydrin, and predominates in CCl 4 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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Permission
( Reusing this file ) |
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