First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)<sub>2</sub>(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector

Hai-Ling Yu; Wen-Yong Wang; Bo Hong; Yan-Ling Si; Tian-Liang Ma; Ran Zheng

首页> 外文期刊>RSC Advances >First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)₂(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector

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First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)₂(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector

机译：Pt（4-乙炔基苯并-15-冠-5）_{2 （bpy）衍生物与单阳离子（Li + ，Na + ，K + ）和双阳离子（Mg 2 + ，Ca 2 + ）：开发阳离子检测器}

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Square-planar platinum(II) compounds containing two crown ethers play an important role in the development of nonlinear optical (NLO) materials, liquid crystals, luminescent materials and also in supramolecular chemistry owing to their diverse charge transfer excited states. The coordination of mono-cationic (Li+, Na+, K+) and di-cationic (Mg2+, Ca2+) metals onto the crown seems to be advantageous for the design of NLO-based cation detectors. Pt(4-ethynylbenzo-15-crown-5)₂(bpy) (L) and its cation derivatives have been investigated by the density functional theory. The binding of alkali metal cations obviously shrinks the crown ethers due to their strong interaction energies and distorts the crown ethers perpendicular to the bipyridine and Pt plane. Significantly, as compared with L, an obvious decrease appears in the first hyperpolarizability after cation complexing. This can be explained by their variable charge transfer transitions along the y-axis in conjunction with the distribution of holes and electrons. Thus, it can be noted that square-planar platinum(II) compounds merit the widespread use in the fields of optical detectors.

机译：包含两个冠醚的正方形平面铂（ II ）化合物由于其不同的电荷转移，在非线性光学（NLO）材料，液晶，发光材料的开发以及超分子化学中都起着重要作用。兴奋的状态。单阳离子（Li + ，Na + ，K + < / sup> ）和双阳离子（Mg 2 + ，Ca 2 + ）金属对于基于NLO的阳离子检测器的设计，将其放在冠上似乎是有利的。用密度泛函理论研究了Pt（4-乙炔基苯并-15-冠-5） _{2 （bpy）（Lpy）及其阳离子衍生物。碱金属阳离子的结合由于其强大的相互作用能而使冠醚明显收缩，并使冠醚垂直于联吡啶和Pt平面扭曲。显着地，与L相比，阳离子络合后的第一超极化率明显降低。这可以通过它们沿 y 轴的可变电荷转移跃迁以及空穴和电子的分布来解释。因此，可以注意到，正方形平面的铂（ II ）化合物值得在光学检测器领域中广泛使用。} 展开▼

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《RSC Advances》 |2017年第66期|共8页

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Hai-Ling Yu; Wen-Yong Wang; Bo Hong; Yan-Ling Si; Tian-Liang Ma; Ran Zheng;
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1. First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)(2)(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector [J] . Yu Hai-Ling, Wang Wen-Yong, Hong Bo, RSC Advances . 2017,第66期

机译：首先具有单阳离子（Li +，Na +，K +）和二阳离子（Mg2 +，Ca2 +）络合的Pt（4-乙炔基苯-15-Crown-5）（2）（BPY）衍生物的高渗透衍生物：阳离子的发展探测器

2. A theoretical study of cation--π interactions: Li+, Na+, K+, Be2+, Mg2+ and Ca2+ complexation with mono- and bicyclic ring-fused benzene derivatives [J] . Tandabany C. Dinadayalane, Ayorinde Hassan, Jerzy Leszczynski Theoretical Chemistry Accounts . 2012,第3期

机译：阳离子-π相互作用的理论研究：Li + ，Na + ，K + ，Be2 + ，Mg2 + 和Ca2 + 与单-和-的络合双环稠合苯衍生物

3. Comprehensive study of the structural and electronic properties of complexes formed by Mz+ (Li+, Na+, K+, Be2+, Mg2+, Ca2+) cation and thiophene and its derivatives [J] . Ghiassi Hamideh, Raissi Heidar Journal of sulfur chemistry . 2015,第1a6期

机译：对由Mz +（Li +，Na +，K +，Be2 +，Mg2 +，Ca2 +）阳离子和噻吩及其衍生物形成的配合物的结构和电子性质的综合研究

4. An Engineering-Optimized Cardiac Pacemaker by Manipulating Na+/Ca2+ Exchange Current and Na+/K+ Pumping Current [C] . Yacong Li, Kuanquan Wang, Qince Li, Computing in Cardiology Conference . 2019

机译：通过操纵Na + / ca 2 + 交换电流和Na + / k + 泵送电流

5. SLAC1-related signal transduction pathway involved in ABA-induced stomatal closure and K+ selective transport by the OsHKT2;4 transporter from rice (Oryza sativa) with atypical Na+ transport properties and competition in permeation of K+ over Mg2+ and Ca2+ ions [D] . Brodsky, Dennis E. 2011

机译：与水稻（Oryza sativa）的OsHKT2; 4转运蛋白有关的ABA诱导的气孔关闭和K +选择性转运的SLAC1相关信号转导途径，具有非典型的Na +转运特性，并且K +在Mg2 +和Ca2 +离子上的渗透竞争

6. K+ Transport by the OsHKT2;4 Transporter from Rice with Atypical Na+ Transport Properties and Competition in Permeation of K+ over Mg2+ and Ca2+ Ions [O] . Tomoaki Horie, Dennis E. Brodsky, Alex Costa, 2011

机译：具有非典型Na +转运特性的水稻中OsHKT2; 4转运蛋白对K +的转运以及K +在Mg2 +和Ca2 +离子上的渗透竞争

7. First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)2(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector [O] . Hai-Ling Yu, Wen-Yong Wang, Bo Hong, 2017

机译：Pt（4-乙炔基苯-15-Crown-5）2（BPY）衍生物的第一种高尖端具有单阳离子（Li +，Na +，K +）和二阳离子（Mg2 +，Ca2 +）：阳离子检测器的开发

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First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)2(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector

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First hyperpolarizabilities of Pt(4-ethynylbenzo-15-crown-5)₂(bpy) derivatives with the complexation of mono-cations (Li+, Na+, K+) and di-cations (Mg2+, Ca2+): development of a cation detector