[C(NH<sub>2</sub>)<sub>3</sub>][B(C<sub>2</sub>O<sub>2</sub>H<sub>4</sub>)<sub>2</sub>]: An Organic–Inorganic Hybrid Borate Containing Nonlinear-Optical Active Unit [B(C<sub>2</sub>O<sub>2</sub>H<sub>4</sub>)<sub>2</sub>]<sup>−</sup> with Solar-Blind-Region Optical Nonlinearity
Jiaxin Wang, Shu‐Fang Li, Mengmeng Ren, Meng-Han Lv, Ru‐Ling Tang, Jin Chen, Hongbo Huang, Bingbing Zhang, Dong Yan
Abstract
We herein report an unprecedented organic–inorganic hybrid borate incorporating a novel nonlinear-optical (NLO) active unit, namely, [C(NH 2 ) 3 ][B(C 2 O 2 H 4 ) 2 ]. The novel NLO active unit was derived from the condensation reaction between two glycol molecules and one (BO 4 ) 5– group. The title compound exhibits a moderate second-harmonic-generation effect (0.7 × KDP), a significant band gap (5.76 eV), and a suitable birefringence (0.078 at 550 nm). The optical properties are determined by the synergistic interaction between the C(NH 2 ) 3 + cation and the [B(C 2 O 2 H 4 ) 2 ] − group, as indicated by theoretical calculations.