Planar MO3 (M=B, C, N) units have frequently been considered as the important structural components of novel birefringent crystal materials. An efficient approach for creating new functional crystals is to...

An Effective Pathway to Design and Synthesize UV Birefringent Crystals via Rational Assemble of π-Conjugated [CO3]2− and [NO3]− Triangles

Herein, the first lead tellurium borate, PbTeB4O9, with an unprecedented fundamental building block [B4O10] was successfully synthesized. The near-parallel alignment of [B4O10] groups and [TeO3] polyhedra resulted in a high birefringence (0.099@1064 nm). The structure-property relationship was discussed by using the first-principles calculations.

PbTeB4O9: A Lead Tellurium Borate with Unprecedented Fundamental Building Block [B4O10] and Large Birefringence

Through the inclusion of two kinds of birefringence reactive groups, that is, Pb2+ cations with stereochemically active lone pairs and π-conjugated [B2O5] groups, a new pyroborate Li2PbB2O5 used to be acquired by the usage of the high-temperature solution method. The three-dimensional structural framework of Li2PbB2O5 is made up of highly distorted [PbO5] polyhedra and parallelly arranged π-conjugated [B2O5] groups via the connection of four- and five-coordinated Li+ cations. The birefringence of Li2PbB2O5 is 0.091 at 1064 nm, which is relatively large and revealed by the first-principles calculations. The contribution from the synergistic effect of the two kinds of birefringence reactive groups was substantiated via the analysis of the real-space atom cutting method. Also, the diffuse reflectance spectrum suggests that Li2PbB2O5 features a band gap of 4.0 eV, which corresponds to an ultraviolet (UV) cutoff edge. We hope that this work will foster further improvements in the design of UV birefringent crystal materials in the borate system.

Li2PbB2O5: A Pyroborate with Large Birefringence Induced by the Synergistic Effect of Stereochemical Active Lone Pair Cations and π-Conjugated [B2O5] Groups.

Ba2Zn2B6O13: coplanar [B2O5] in unnoted U-shaped [B6O13] groups achieving large birefringence.

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Ba2Zn2B6O13: coplanar [B2O5] in unnoted U-shaped [B6O13] groups achieving large birefringence.