Related Experiment Video
Updated: Feb 8, 2026

A Micropatterning Assay for Measuring Cell Chirality
Published on: March 11, 2022
Conformational Study and Chiroptical Properties of Chiral Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)
Thomas Cauchy1, Flavia Pop2, Jérôme Cuny3
1Laboratoire Moltech-Anjou, UMR 6200 CNRS- Université d'Angers, UFR Sciences, Bât. K 2 Bd. Lavoisier, 49045 Angers, France;,
Abstract:
The enantiopure dimethyl-ethylenedithio-tetrathiafulvalene (DM-EDT-TTF) donor exists as biaxial (ax, ax) and biequatorial (eq, eq) conformers in equilibrium. DFT calculations combined with free energy surface (FES) analysis establish that the (ax, ax) form is more stable by ∼0.7 kcal·mol-1 than the (eq, eq) one and that the inter-conversion process involves a sequential conformational change through a boat type (ax, eq) conformer with an activation energy of ∼3 kcal.mol-1. TD-DFT calculations show similar, but opposite in sign, CD bands for the two conformers. A Boltzmann type average of the two CD curves, corresponding to a ratio of three (ax, ax) for one (eq, eq) conformers in equilibrium in solution, provides an excellent agreement with the experimental curve.
Related Concept Videos
Conformity
Chirality
Chiral objects exhibit a sense of handedness when they interact with another chiral object. For example, our left foot can only fit in the left shoe and not in the right shoe. Achiral objects — objects that have...
Chirality in Nature
Conformations of Butane
Chirality at Nitrogen, Phosphorus, and Sulfur
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
Molecules with Multiple Chiral Centers

