Search

A new cesium hydroxyborate CsB3O4(OH)2, was designed and synthesized by a hydrothermal method. Remarkably, CsB3O4(OH)2 presents novel [B3O4(OH)2]∞ chains formed by [B3O4(OH)2] fundamental building blocks (FBBs). The report of less common [B3O4(OH)2] FBBs and [B3O4(OH)2]∞ chains in CsB3O4(OH)2 enriches the structural diversity of hydroxyborates. In addition, CsB3O4(OH)2 has a wide transparent window in the DUV spectral range and a large birefringence. [ABSTRACT FROM AUTHOR]

A series of M6PS5X (M = Ag, Cu; X = Cl, Br) nonlinear optical (NLO) chalcohalides with special MS3X ligands have been synthesized in this work. Their critical optical performances were systematically measured and the research results show that all of them exhibit strong NLO responses (2.0–2.7 × commercial AgGaS2) and high laser-damage thresholds (1.7–2.3 × AgGaS2), indicating their potential application as good NLO candidates. Furthermore, first-principles calculations were used to study their inherent structure–property relationships and chalcohalides can be expected to be optimal systems for the exploration of new promising IR NLO crystals. [ABSTRACT FROM AUTHOR]

With the advancement of laser technology, searching for new nonlinear optics (NLO) active units is necessary for designing NLO materials with excellent performance. In this study, an amino substitution strategy is proposed to explore new planar π‐conjugated groups as functional building units (FBUs) for NLO and birefringent materials. Accordingly, a new NLO‐active molecule melem C6N7(NH2)3 is identified, which is characterized by significant polarization anisotropies and large hyperpolarizabilities. Subsequently, C6N7(NH2)3·H3PO4 is screened out and successfully synthesized through a simple aqueous method. The compound exhibits a strong second harmonic generation (SHG) response of 8.9 times that of KDP and a large birefringence of 0.609 at 1064 nm. As far as is known, the calculated birefringence of C6N7(NH2)3·H3PO4 is the largest among the organic–inorganic hybrid crystals in which the birefringence originates from π‐conjugated groups. The theoretical computation supports that the amino (─NH2) substitution strategy is effective for designing and synthesis of materials with strong SHG response and large birefringence. [ABSTRACT FROM AUTHOR]