Welcome to the landing page for Sulfonylinime Reactions!

There are two reaction mechanisms shown by this website, one for a cyclic sulfonylimine and one for an acyclic sulfonylimine. Please click the respective links to view the mechanisms.

System Requirements

The two pages mentioned above make use of the JSmol Molecular Viewer to render each step of the mechanism. This viewer makes use of either HTML5 or WebGL to render the molecules. Both technologies require the use of a relatively new web browser (Chromium or Firefox) to work properly. Additionally, since each pages has a total of 12 molecules to render, the loading time of the webpages is fairly long, and it may appear that the website is frozen. To show that it is not frozen, a sample rendering of benzene is included and is loaded last. Once this molecule is rendered, the entire site is ready to be viewed. Neither page has been tested on a mobile device and a desktop or laptop computer is recommended.

Website features

By default, all molecules are rendered with HTML5 as this is the only way the molecular vibrations can be shown using JSmol. However, WebGL versions of the cyclic sulfonylimine reaction and the acyclic sulfonylimine reaction are available using the respective hyperlinks. By default, vibrations are shown only for the negative frequency associated with each transition state, but the frequencies for other steps can be activated by right-clicking the molecule, changing the model to the desired vibration, and then turning vibrations on through the JSmol menu. Finally, fullscreen renderings of each step are available and are linked on each webpage.

The Intrinsic Reaction Coordinate structures for each transition state are given at this link.

Other ways to view the content

Given the heavy resources needed by each page, you may wish to download the 3D coordinates, frequencies, and Molecular orbitals yourself. To do so, links are provided to the Gaussian16 output log and checkpoint file for each step of the reaction. These files can also be obtained from the repository.