(NH4)3[B(OH)3]2(COOH)3: a graphite-like UV nonlinear optical material with a large birefringence via structural optimization

Abstract

A novel noncentrosymmetric (NCS) metal-free formic-borate, (NH₄)₃[B(OH)₃]₂(COOH)₃, has been discovered, which exhibits an infrequent graphite-like structure. The alliance of two types of π-conjugated planar anions BO₃³⁻ and COOH⁻ produced an optimized layered structure to maximize the anisotropic polarizability, resulting in an extremely large birefringence (0.156@546 nm), larger than that of the classical commercial UV birefringent material α-BBO (0.122@546 nm). This strategy that structural optimization could enhance birefringence will guide the discovery of large birefringence materials, especially in the UV region.