UAF logo Department of Chemistry & Biochemistry

Crystal Violet and Quantum Theory

5 Models for Study

The following are links to webpages that display 3D models of crystal violet and other molecules involved in the color bleaching reaction. After opening each webpage, download the model to your computer as a .mol file. Right-click on the molecule (Mac, ctrl-click) and use the File, Save, entry on the pop-up menu.

 · Crystal violet cation CV  
 · Crystal violet alcohol   CVOH
 · OH- ion solvated by 4 waters OH-..4waters  
 · Crystal violet alcohol solvated by 4 waters CVOH...4waters
 · Crystal violet - OH transition state solvated by 4 waters  CV..OH...4waters 

-----------------------------------

   ·CV cation surfaces

------------------------------------
Youtube video (2 min) showing how to save a .mol file and import the structure into WebMO.
------------------------------------

Optional:  Animation web pages

· Motion of the CV-OH-4 water transition state atoms at the top of the reaction progress-energy curve, forward and reverse. This type of motion is characteristic of transition states. It is called an "imaginary vibration". Unlike real molecular vibrations, which behave like springs, this motion has no restoring force. (0.8 MB)

 · Full time course of the CV-OH-4 water addition reaction.

 

 © John Keller
 jwkeller@alaska.edu
Updated 3-26-2024