Fluctional molecules

Abstract 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