Diffraction of helical x-rays by optically active achiral crystals

Abstract

Four crystal classes are optically active yet not chiral (non-enantiomorphic). Corresponding Bragg diffraction patterns calculated for circularly polarized (helical) x-rays tuned to an atomic resonance prove that angular anisotropy in the distribution of electrons create spots not indexed on the chemical structure (defined by a space group derived from Thomson scattering by perfect spheres of charge). Templeton-Templeton scattering, as it is usually called, of helical x-rays is quantified in terms of a chiral signature defined as the partial diffracted intensity hallmarked by x-ray helicity. Our electric dipole - electric dipole (E1-E1) chiral signature for a space group in the optically active crystal class D2d affords a complete interpretation in terms of copper quadrupoles of diffraction data collected on copper metaborate [E. N. Ovchinnikova et al., J. Synchrotron Rad. 28, 1455 (2021)]. An example of a chiral signature derived from a parity-odd resonance event (E1-E2) is included in our study. It is firmly established that tuning the energy of x-rays to an atomic resonance enhances the intensity of inherently weak Templeton-Templeton scattering and renders space-group forbidden Bragg spots element specific. Our chiral signature as a function of rotation about the reflection vector (azimuthal-angle scan) is specific to position multiplicity, Wyckoff letter and symmetry in a favourable space group.