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.5c0063310.1021/acs.inorgchem.5c00633

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

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引用次数: 0

摘要

以手性氨基酸为末端配体，通过溶剂蒸发法获得了 Cd3(SCN)6(l-C5H9NO3)2(H2O)2-0.5CH3OH (1) 和 Cd(SCN)2(l-C6H14N4O2)2 (2)的无色晶体。化合物 1 具有层状结构，二次谐波发生（SHG）效率适中（0.2 × KH2PO4），双折射较大（546 纳米波长处为 0.301）。化合物 2 的分子结构具有较高的 SHG 效率（2.67 × KH2PO4）和较宽的带隙（4.84 eV）。我们进行了理论计算，以阐明化合物 2 产生巨大 SHG 响应的原因。

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.