Estimating the shape and size of supramolecular assemblies by variable temperature diffusion ordered spectroscopy

Abstract

Reported is characterization of the self-assembly of π-conjugated oligomers, molecules studied recently in photovoltaic devices, using variable temperature diffusion ordered spectroscopy (VT-DOSY). Iterative fitting of diffusion coefficient versus temperature data to a modified Stokes–Einstein equation, molecular modelling, and comparison to non-assembling model compounds, has allowed estimation of assembly size, shape, and molecularity.