New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy. Issue 1 (23rd November 2022)

• Record Type: Journal Article
• Authors: Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao
• Is Part Of: Chemical science. Volume 14:Issue 1(2023)
• Page Start: 136
• Page End: 142
• Publication Date: 2022-11-23
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d2sc05216d
• Languages: English
• ISSNs: 2041-6520

Abstract

Abstract : K2 [PbI2 (HCOO)2 ] and Rb2 [PbI2 (HCOO)2 ] with highly distorted [PbI2 O4 ] polyhedra in an oriented arrangement exhibit a very strong phase-matching SHG response, suitable birefringence, wide transparent windows and good thermal stability. Abstract : Nonlinear optical (NLO) crystals featuring a strong second-harmonic generation (SHG) response and suitable birefringence to achieve phase-matching are in urgent demand in industrial and commercial applications. Based on the substitution strategy, two new NLO lead-iodide formates, K2 [PbI2 (HCOO)2 ] and Rb2 [PbI2 (HCOO)2 ], have been successfully synthesized using a moderate mixed-solvothermal method. K2 [PbI2 (HCOO)2 ] and Rb2 [PbI2 (HCOO)2 ] exhibit strong phase-matching SHG responses of 8 and 6.8 × KDP, respectively, a suitable birefringence and transparent window covering most of the visible light and mid-IR region. Crystal structures and theoretical calculations unveil that the origins of the strong SHG response and suitable birefringence can be credibly attributed to the oriented arrangement of the highly distorted [PbI2 O4 ] hexa-coordinated polyhedra, which are consistent in their local dipole moments, as well. This research provides a new strategy to explore high-performance NLO crystals.