Chemomechanics is emerging as a field of intense interest at the interface of chemistry, materials science, physics, and biology with the aim of understanding reaction dynamics in multiscale phenomena.  In such systems, �classic� kinetic descriptors (e.g., T, P, �) fail to fully account for rate enhancements spanning several orders of magnitude.  Before nanomechanical devices can truly be designed from molecular systems, a general, quantitative, and predictive method for describing reaction kinetics in systems with energy coupling across length scales is needed.  We have developed just such a conceptual framework.  The use of the size-invariant molecular restoring force as a kinetic parameter enables us to bridge the �formidable gap� of 10-100 nm, where molecular meets bulk and modeling is particularly challenging.  This presentation will describe the computational and kinetic studies carried out using series of macrocyclic molecules to study the effect of force on localized reaction kinetics toward this end.

Experimental validation of a chemomechanical model: Bridging the µm–nm gap

240th National Meeting (2010)

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