Overview

Michael L. McKee

Published Online: Apr 25 2011

DOI: 10.1002/wcms.47

Full article on Wiley Online Library:

HTML
PDF
Can't access this content? Tell your librarian.

Fluctional molecules are defined as molecules that can interconvert rapidly with respect to a reference timescale. The most
common timescale is Nuclear Magnetic Resonance (NMR), which is millisecond (10^{−3} s). The rate constant of interconversion is given by the Eyring equation , where *k*_{B} is Boltzmann constant, *T* is absolute temperature, *h* is Planck constant, Δ*G*^{‡} is the Gibbs free energy of activation, and *R* is gas constant that can be reduced to ln . A variety of spectroscopic techniques are often employed to study fluctional processes. © 2011 John Wiley & Sons, Ltd. *WIREs Comput Mol Sci* 2011 1 943‐951 DOI: 10.1002/wcms.47

This article is categorized under:

- Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics