Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study

doi:10.1007/s10904-017-0537-5

	Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study
	Zhang, Hang 1,3; Zhou, Can-Hua 2; Liu, Dong 3; Li, Guang-Yue 3
刊名	JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
	2017-07-01
卷号	27 页码:923-933
关键词	Coordination Polymer Ligand-to-ligand Charge Transfer Density Functional Theory Frontier Molecular Orbital Fluorescence
DOI	10.1007/s10904-017-0537-5
英文摘要	A novel one-dimensional Cd(II) coordination polymer (CP) based on mixed aromatic ligands was synthesized and characterized by X-ray diffraction, thermogravimetric analysis and spectroscopic analyses. Fingerprint plots in Hirshfeld surface analysis illustrate that the one-dimensional crystal structure of the CP is stabilized by C-H center dot center dot center dot O, pi center dot center dot center dot pi, C-H center dot center dot center dot pi, and H center dot center dot center dot H intermolecular interactions. The structural and photophysical properties of the CP were then investigated by time-dependent density functional theory methods, and computational results well reproduced the experimental data. The combined investigations found a ligand-to-ligand charge transfer character during the electrons relax from the first singlet excited(1) state of the CP. The weak fluorescence of CP could be resulted from the energy interlacing of the frontier molecular orbitals (FMOs) of aromatic ligands and the fulfilled d (10) configuration of Cd(II). Herein, this CP exhibits as a potential tunable luminescent sensor by adjusting the energy levels of the FMOs of aromatic ligands.
语种	英语
WOS记录号	WOS:000403706000009
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/152126]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.North China Univ Sci & Technol, Modern Technol & Educ Ctr, Tangshan 063009, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Chem Lasers, Dalian 116023, Peoples R China 3.North China Univ Sci & Technol, Coll Chem Engn, Tangshan 063009, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Hang,Zhou, Can-Hua,Liu, Dong,et al. Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study[J]. JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS,2017,27:923-933.
APA	Zhang, Hang,Zhou, Can-Hua,Liu, Dong,&Li, Guang-Yue.(2017).Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study.JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS,27,923-933.
MLA	Zhang, Hang,et al."Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study".JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS 27(2017):923-933.