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| View Original: | Epichlorohydrin-calculated-MP2-3D-sf.png (1947x2000) | |||
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| Keywords: Epichlorohydrin-calculated-MP2-3D-sf.png Space-filling model of the gauche-II g-II conformer of the R 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 393939 Carbon C grey-black FFFFFF Hydrogen H white 20F020 Chlorine Cl green F00000 Oxygen O red Conformation based on http //dx doi org/10 1039/C0CP02730H Phys Chem Chem Phys 2011 13 12517-12528 and http //dx doi org/10 1002/chir 10255 Chirality 2002 15 S1 S143 “S149 Structure calculated with http //www wavefun com/products/macintosh/Student/mac_student html Spartan Student 4 1 using the MP2 level of theory and the 6-311+G basis set Image generated in http //accelrys com/products/discovery-studio/visualization/discovery-studio-visualizer html Accelrys DS Visualizer Own 2012-02-09 Ben Mills Benjah-bmm27 Images by Ben Mills Epichlorohydrin | ||||
