File:S-Epichlorohydrin-calculated-MP2-3D-balls.png

Page contents not supported in other languages.
This is a file from the Wikimedia Commons
From Wikipedia, the free encyclopedia

Original file ‎(2,000 × 1,921 pixels, file size: 490 KB, MIME type: image/png)

Summary

Description

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
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
Author Ben Mills (converted from R to S by DMacks (talk))
Permission
(Reusing this file)
Public domain This work has been released into the public domain by its author, Benjah-bmm27. This applies worldwide.

In some countries this may not be legally possible; if so:
Benjah-bmm27 grants anyone the right to use this work for any purpose, without any conditions, unless such conditions are required by law.

Captions

Add a one-line explanation of what this file represents

Items portrayed in this file

depicts

File history

Click on a date/time to view the file as it appeared at that time.

Date/TimeThumbnailDimensionsUserComment
current15:34, 16 May 2018Thumbnail for version as of 15:34, 16 May 20182,000 × 1,921 (490 KB)DMacks{{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:'...
The following pages on the English Wikipedia use this file (pages on other projects are not listed):

Global file usage

The following other wikis use this file:

Metadata

This file contains additional information, probably added from the digital camera or scanner used to create or digitize it.

If the file has been modified from its original state, some details may not fully reflect the modified file.

Retrieved from "https://en.wikipedia.org/wiki/File:S-Epichlorohydrin-calculated-MP2-3D-balls.png"