Just Accepted
Just Accepted Articles have been posted online after technical editing and typesetting for immediate view. The final edited version with page numbers will appear in the Current Issue soon.
Submit a Manuscript
Enhanced tripling-performance in [C(NH2)3]4P2O7·H2O as UV Non-linear optical material due to π-conjugated cation and hydrogen bonding intervention
Lei Wu, Enshen Wang, Bao Jiang, Xueyin Fu, Kechen Sun, Maierhaba Abudoureheman, Zhaohui Chen*, Qun Jing*, Yuhong Su
https://doi.org/10.1016/j.cjsc.2026.100904
Nonlinear optical; Guanidinium; Dangling bonds; Hydrogen bond network; Cut-off edge
ABSTRACT
The core of the challenge in designing phosphate nonlinear optical (NLO) materials lies in the simultaneous optimization tripartite roles of band gap, birefringence, and second harmonic generation (SHG), which are typically governed by conflicting structural factors. Herein, the π–conjugated –C(NH2)3 group and N–H···O/O–H···O hydrogen bonds were coupled in a guanidinium pyrophosphate crystal of [C(NH2)3]4P2O7·H2O. The material achieves collaborative optimized optical performance: (i) short cut-off edge at 186 nm; (ii) moderate birefringence (Δn = 0.065 at 546 nm); and (iii) substantial SHG efficiencies of 1.0 × KDP at 1064 nm and 0.3 × β-BaB2O4 (β-BBO) at 532 nm. Theoretical calculations reveal that the dense hydrogen bond network not only widens the band gap by eliminating terminal O dangling bonds but also aligns polarizable structural units to enhance optical anisotropy and nonlinearity. These findings establish that multiple functional moieties as flexible structural components can provide a feasible and promising approach to enhance the comprehensive optical properties of phosphate NLO materials.
- Address: Fuzhou High & New Technology Industrial Zone, Shangjie, Minhou, Fuzhou, Fujian 350108, China
- Tel: (86)-591-63173769, 63173770
- E-mail: cjsc@fjirsm.ac.cn
CN 35–1112/TQ, ISSN 0254–5861, Online ISSN: 2949-768X Copyright @ 2022 Chinese Journal of Structural Chemistry-www.Chinese Journal of Structural Chemistry.net. All Rights Reserved 闽ICP备2022002645号-1