Remarkable Disparity of Second Harmonic Generation Response in Two Inorganic–Organic Hybrid Metal Thiocyanates

IF 4.7 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2025-09-19 DOI:10.1021/acs.inorgchem.5c04071

Xuemei Wen, , , Yue Zhou, , , Qinglan Zhong, , , Jing Li*, , , Guohong Zou, , and , Zhien Lin*,

引用次数: 0

Abstract

Colorless crystals of Cd(SCN)₂(l-C₅H₉NO₂)₂ (1) and Zn(SCN)₂(l-C₅H₉NO₂)₂ (2) were obtained by a solvent evaporation method. Compound 1 has a chainlike structure crystallized in the polar space group P2₁, while compound 2 features a monomeric structure crystallized in the polar space group C2. The second harmonic generation (SHG) responses of the two metal thiocyanates are 0.5 and 3.1 times that of KH₂PO₄, respectively. Theoretical calculation results reveal that the strong SHG response of compound 2 stems from the cooperative effect between the linear thiocyanate groups and terminal l-proline ligands.

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两种无机-有机杂化金属硫氰酸盐二次谐波响应的显著差异

采用溶剂蒸发法制备了无色的Cd(SCN)2(l-C5H9NO2)2(1)和Zn(SCN)2(l-C5H9NO2)2(2)晶体。化合物1具有结晶在极性空间群P21中的链状结构，而化合物2具有结晶在极性空间群C2中的单体结构。两种金属硫氰酸盐的二次谐波产生（SHG）响应分别是KH2PO4的0.5倍和3.1倍。理论计算结果表明，化合物2具有较强的SHG响应是由于其末端的l-脯氨酸配体与线性硫氰酸基之间的协同作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.