Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

J Phys Chem Lett. 2019 Jul 18;10(14):3978-3984. doi: 10.1021/acs.jpclett.9b01418. Epub 2019 Jul 3.

Abstract

A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration Rg is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. The developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.