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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
M6PS5X (M = Ag, Cu; X = Cl, Br) chalcohalides exhibiting strong nonlinear optical responses and high laser damage
Lihua Gao1, Xiaowen Wu1, Daqing Yang1
1College of Chemistry and Environmental Science, Hebei University, Baoding, China. wuxiaowen1114@163.com.
Abstract:
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.
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