Relationship between the Structure and Nonlinear Optical Properties of R[UO2L3] and R-3[UO2L3](4) Crystals (L-Carboxylate Ion)

摘要

The nonlinear optical activity (Q) of uranyl carboxylates containing [UO2(L)(3)](-) complexes in the crystal structure, where L is the anion of aliphatic or unsaturated monocarboxylic acids, has been characterized for the first time by the second harmonic generation method. It has been shown using molecular Voronoi-Dirichlet polyhedra that specific features of the cationic sublattice of U and R atoms in carboxylate structures depend on noncovalent interactions between outer-sphere R+ cations and [UO2(L)(3)](-) complex anions. The existence of a relationship between Q and the magnitude of the vector characterizing the displacement of the uranium atom nucleus from the centroid of its Voronoi-Dirichlet polyhedron in the cation sublattice of U and R atoms is revealed.