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KHg4Ga3S9: A Hg-Based Sulfide with Nonlinear-Optical Activity in the A–MII–MIII–Q (A = Alkali Metal; MII = d10 Metal; MIII = Ga, In; Q = S, Se) System
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-08-03 , DOI: 10.1021/acs.inorgchem.3c02231
Wen-Dong Yao 1 , Xiao Huang 1 , Mei Yan 1 , Wenlong Liu 1 , Sheng-Ping Guo 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-08-03 , DOI: 10.1021/acs.inorgchem.3c02231
Wen-Dong Yao 1 , Xiao Huang 1 , Mei Yan 1 , Wenlong Liu 1 , Sheng-Ping Guo 1
Affiliation
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The search for new high-performance infrared (IR) nonlinear-optical (NLO) materials is a hot topic in the fields of laser chemistry and inorganic solid-state chemistry. Here, a new Hg-based sulfide KHg4Ga3S9 in the family of A–MII–MIII–Q (A = alkali metal; MII = d10 metal; MIII = Ga, In; Q = S, Se) was synthesized. It crystallizes in the orthogonal system of the C2221 structure, which is rare for IR NLO chalcogenides. Its anionic framework {[Hg4Ga3S9]−}∞ is constructed by two types of interconnected helical chains, viz., the inner layer ({[Hg6Ga2S29/3]4/3–}∞) and the outer layer ({[Hg2Ga4S25/3]2/3–}∞). It exhibits a moderate NLO response and a high laser-induced damage threshold. Theoretical calculations indicate that the HgS4 unit accounts for its much larger NLO response compared to RbCd4Ga3S9. The influence of alkali metals and d10 metals on the initial phase-matching wavelength is also discussed. This work provides inspiration for improving the properties of NLO materials’ properties.
中文翻译：
KHg4Ga3S9：A–MII–MIII–Q（A = 碱金属；MII = d10 金属；MIII = Ga、In；Q = S、Se）体系中具有非线性光学活性的汞基硫化物
寻找新型高性能红外（IR）非线性光学（NLO）材料是激光化学和无机固态化学领域的热门话题。这里，A–M II –M III –Q族中的一种新的汞基硫化物 KHg 4 Ga 3 S 9（A = 碱金属；M II = d 10金属；M III = Ga, In；Q = S ，Se）被合成。它以C 222 1结构的正交体系结晶，这对于IR NLO硫属化物来说是罕见的。其阴离子骨架{[Hg 4 Ga 3 S 9 ] − } ∞由两种相互连接的螺旋链构成，即内层({[Hg 6 Ga 2 S 29/3 ] 4/3– } ∞ )和外层（{[Hg 2 Ga 4 S 25/3 ] 2/3– } ∞）。它表现出中等的 NLO 响应和高激光诱导损伤阈值。理论计算表明，与RbCd 4 Ga 3 S 9相比，HgS 4单元具有更大的NLO响应。还讨论了碱金属和d 10金属对初始相位匹配波长的影响。这项工作为提高非线性光学材料的性能提供了启发。
更新日期：2023-08-03
中文翻译：
KHg4Ga3S9：A–MII–MIII–Q（A = 碱金属；MII = d10 金属；MIII = Ga、In；Q = S、Se）体系中具有非线性光学活性的汞基硫化物
寻找新型高性能红外（IR）非线性光学（NLO）材料是激光化学和无机固态化学领域的热门话题。这里，A–M II –M III –Q族中的一种新的汞基硫化物 KHg 4 Ga 3 S 9（A = 碱金属；M II = d 10金属；M III = Ga, In；Q = S ，Se）被合成。它以C 222 1结构的正交体系结晶，这对于IR NLO硫属化物来说是罕见的。其阴离子骨架{[Hg 4 Ga 3 S 9 ] − } ∞由两种相互连接的螺旋链构成，即内层({[Hg 6 Ga 2 S 29/3 ] 4/3– } ∞ )和外层（{[Hg 2 Ga 4 S 25/3 ] 2/3– } ∞）。它表现出中等的 NLO 响应和高激光诱导损伤阈值。理论计算表明，与RbCd 4 Ga 3 S 9相比，HgS 4单元具有更大的NLO响应。还讨论了碱金属和d 10金属对初始相位匹配波长的影响。这项工作为提高非线性光学材料的性能提供了启发。
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