含末端氨基酸的有机-无机杂化硫氰酸镉的二次谐波生成

IF 4.7 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2025-03-06 DOI:10.1021/acs.inorgchem.5c00633

Yue Zhou, Gangji Yi, Qinglan Zhong, Guohong Zou, Hongmei Zeng, Zhien Lin

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引用次数: 0

摘要

以手性氨基酸为末端配体，采用溶剂蒸发法制备了无色的Cd3(SCN)6(l-C5H9NO3)2(H2O)2·0.5CH3OH(1)和Cd(SCN)2(l-C6H14N4O2)2(2)晶体。化合物1具有层状结构，具有中等的二次谐波产生效率（0.2 × KH2PO4）和较大的双折射（在546 nm处为0.301）。化合物2具有强SHG效率（2.67 × KH2PO4）和宽带隙（4.84 eV）的分子结构。通过理论计算，阐明了化合物2的大SHG响应的来源。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Second-Harmonic Generation in Organic–Inorganic Hybrid Cadmium Thiocyanates Containing Terminal Amino Acids

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Second-Harmonic Generation in Organic–Inorganic Hybrid Cadmium Thiocyanates Containing Terminal Amino Acids

Using chiral amino acids as terminal ligands, colorless crystals of Cd₃(SCN)₆(l-C₅H₉NO₃)₂(H₂O)₂·0.5CH₃OH (1) and Cd(SCN)₂(l-C₆H₁₄N₄O₂)₂ (2) were obtained by a solvent evaporation method. Compound 1 has a layered structure with a moderate second harmonic generation (SHG) efficiency (0.2 × KH₂PO₄) and a large birefringence (0.301 at 546 nm). Compound 2 features a molecular structure with a strong SHG efficiency (2.67 × KH₂PO₄) and a wide band gap (4.84 eV). Theoretical calculations were performed to elucidate the origin of the large SHG response of compound 2.

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

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.