{"title":"Pb9Si8O22Cl6 and Pb3.07Ca1.93Si3O11: Two Ultraviolet Nonlinear Optical Materials Exhibit a Moderate Second Harmonic Generation Response","authors":"Meihui Chen, Wei Wei, Jiawei Zhao, Juanjuan Lu, Donghai An, Yanna Chen","doi":"10.1021/acs.inorgchem.4c04366","DOIUrl":null,"url":null,"abstract":"Finding novel efficient nonlinear optical materials with large second-order nonlinearity for the UV spectral range remains a formidable challenge, especially for silicate systems. Using a high-temperature solid reaction in a tight vacuum environment, two ultraviolet nonlinear optical materials with a moderate second harmonic generation (SHG) response have been created: Pb<sub>9</sub>Si<sub>8</sub>O<sub>22</sub>C<sub>l6</sub> and Pb<sub>3.07</sub>Ca<sub>1.93</sub>Si<sub>3</sub>O<sub>11</sub>. The SHG values they computed are roughly 2.4 and 3.5 times higher than those of KH<sub>2</sub>PO<sub>4</sub> (KDP). This study reports on Pb<sub>9</sub>Si<sub>8</sub>O<sub>22</sub>C<sub>l6</sub> and Pb<sub>3.07</sub>Ca<sub>1.93</sub>Si<sub>3</sub>O<sub>11</sub> syntheses, crystal structures, and optical characteristics. In addition, the relationship between electronic structure and optical properties was clarified by first-principles theoretical computations.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"75 1","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2025-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.inorgchem.4c04366","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
Finding novel efficient nonlinear optical materials with large second-order nonlinearity for the UV spectral range remains a formidable challenge, especially for silicate systems. Using a high-temperature solid reaction in a tight vacuum environment, two ultraviolet nonlinear optical materials with a moderate second harmonic generation (SHG) response have been created: Pb9Si8O22Cl6 and Pb3.07Ca1.93Si3O11. The SHG values they computed are roughly 2.4 and 3.5 times higher than those of KH2PO4 (KDP). This study reports on Pb9Si8O22Cl6 and Pb3.07Ca1.93Si3O11 syntheses, crystal structures, and optical characteristics. In addition, the relationship between electronic structure and optical properties was clarified by first-principles theoretical computations.
期刊介绍：
Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.
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