Prospects for polarized neutron scattering from substrate molecules prepared via Signal Amplification by Reversible Exchange

We calculate and simulate absolute polarized neutron scattering cross sections for prototypical substrate molecules that have been proven to acquire nuclear spin hyperpolarization via Signal Amplification by Reversible Exchange (SABRE), such as pyridine. Because of the dramatic spin-dependence of polarized neutron scattering, combined with degrees of hyperpolarization that can be orders of magnitude in excess of thermal polarizations, such molecules will exhibit scattering cross sections that provide for potentially useful probes of molecular conformation and solution structure. We examine cross-sections for the neutron spin-flip and no-spin-flip cases. Experiments that combine these cross-sections can yield useful partial structure factors, including direct measurements of distances between chosen nuclei. We explore protocols that yield potentially useful signals proportional both to the first and second powers of the degree of nuclear spin hyperpolarization, and address considerations needed for practical implementation.