Two iodoargentate hybrids: syntheses, crystal structures, photocurrent responses and theoretical studies

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Molecular Crystals and Liquid Crystals Pub Date : 2023-10-13 DOI:10.1080/15421406.2023.2269749

Hong-Yao Shen, Xin-Ru Yang, Jia-Cheng Zhu, Rui-Peng Yang, Zheng-Fang Wang, Jun Li, Bo Zhang

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Abstract

AbstractIn recent years, organic-inorganic hybrid iodoargentates have suffered extensive research attention due to their rich structures and unique optical and semiconductor properties. In this article, using 4,4'-dbbpy (4,4'-dbbpy = 4,4'-dibromo-2,2-bipyridine) and 5,5'-dbbpy (5,5'-dbbpy = 5,5'-dibromo-2,2-bipyridine) ligands as structural modifiers, two new iodoargentate hybrids, namely [Ni(4,4'-dbbpy)3]AgI3 (1) and [Ni(5,5'-dbbpy)3]Ag2I4 (2) have been successfully constructed, which are then structurally, optically and theoretically studied. Compounds 1 and 2 have optical band gaps at 2.45 and 2.56 eV, displaying visible light responding photocurrent intensities of 0.26 and 0.47 μA·cm−2, respectively. Additionally, the Hirshfeld surface analyses and density of states have also been investigated.Keywords: Crystal structureiodoargentateoptical propertytheoretical calculation Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingWe sincerely express our thanks for the financial support from Natural Science Foundation of Shandong Province [ZR2019BB074, ZR2018LB001].

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两种碘酸盐杂化物:合成、晶体结构、光电流响应及理论研究

近年来，有机-无机杂化碘酸盐因其丰富的结构和独特的光学和半导体性质而受到广泛的研究关注。本文以4,4′-dbbpy(4,4′-dbbpy = 4,4′-二溴-2,2-联吡啶)和5,5′-dbbpy(5,5′-dbbpy = 5,5′-二溴-2,2-联吡啶)配体为结构修饰剂，成功构建了[Ni(4,4′-dbbpy)3]Ag2I4(1)和[Ni(5,5′-dbbpy)3]Ag2I4(2)两种新型碘酸盐杂化体，并对其进行了结构、光学和理论研究。化合物1和2的光学带隙分别为2.45和2.56 eV，显示的可见光响应光电流强度分别为0.26和0.47 μA·cm−2。此外，还研究了Hirshfeld表面分析和态密度。关键词:晶体结构;碘离子;光学性质;我们衷心感谢山东省自然科学基金[ZR2019BB074, ZR2018LB001]的资金支持。

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来源期刊

Molecular Crystals and Liquid Crystals 化学-晶体学

CiteScore

1.20

自引率

14.30%

发文量

248

审稿时长

2 months

期刊介绍： Established in 1966, Molecular Crystals and Liquid Crystals is a world-leading journal publishing original research papers in both an experimental and theoretical nature in three areas of specialization: liquid crystals, molecular crystals, and low-dimensional solids. These cover, but are not limited to: Liquid Crystals: -Electro- and magneto-optical phenomena; thermodynamics; phase transitions; structure; NMR and orientation-controlled spectroscopy; theory. Molecular Crystals: -Spectroscopy; energy and charge transfer; solid state reactions; photo and radiation effects Low-dimensional Solids: -Structure, electronic, magnetic, and optical properties; transport mechanisms The journal publishes research papers, review papers, and book reviews. In all three areas, experimental manuscripts describing both preparation and properties will be considered. Papers that describe determination of crystal structure alone are not encouraged unless some solid state forces (hydrogen bonding, charge transfer, etc.) are playing a significant role and/or some solid state properties of the materials are measured.