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Optical Properties of Metal Complexes
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Optical Properties of Metal Complexes

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Photochemistry".

Deadline for manuscript submissions: closed (31 May 2023) | Viewed by 12053

Special Issue Editor

Prof. Dr. Dayu Wu

E-Mail Website
Guest Editor
School of Petrochemical Engineering, Changzhou University, Changzhou 213164, Jiangsu, China
Interests: metal complex; metallic cluster; metal−organic framework; photoluminescence; single-crystal XRD; LED

Special Issue Information

Dear Colleagues,

The aim of the present Special Issue is to extensively discuss the optical properties of a variety of metal complexes, such as d8 and d10-block transition metals and f-block rare-earth metals. In recent decades, the significant optical properties of metal complexes, including optical nonlinearities, absorption and emission, have been intensively studied.  The optical properties of these complexes depend both on the nature of the organic ligands and on the nature of the metal centers and their coordination geometry. In addition, the structure of optical metal complexes includes the monometallic and multimetallic clusters and extended metal−organic frameworks. A wide range of potential applications of these optical complexes has been identified in the fields of sensing, solid-state lightening, displays, etc.

Therefore, the aim of this Special Issue is to collect studies on the specific optical properties of the metal complexes, with a focus on the structures defined by single-crystal X-ray diffraction studies that have allowed the investigation of their structure–property relationships, related to basic science and applications. Indeed, there is growing interest in the application of photoluminescent metal complexes as alternative strategies in bio-imaging and light-emitting diodes (LEDs), thanks to their high efficiency and stability.

This Special Issue welcomes contributions, original research or review articles on all aspects related to the optical properties of metal complexes, and especially the recent advances in the photoluminescence properties of metal complexes, and future trends and innovations. Studies focused on X-ray diffraction analysis, and the monitoring and identification of the photoluminescence of metal–organic assemblies, including extended framework materials, are especially welcome.

Prof. Dr. Dayu Wu
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • metal complex
  • metallic cluster
  • metal−organic framework
  • photoluminescence
  • single-crystal XRD
  • LED

Published Papers (6 papers)

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Research

13 pages, 3276 KiB  
Article
Investigation of the N^C Ligand Effects on Emission Characteristics in a Series of Bis-Metalated [Ir(N^C)2(N^N)]+ Complexes
by Zohreh Hendi, Daria O. Kozina, Vitaly V. Porsev, Kristina S. Kisel, Julia R. Shakirova and Sergey P. Tunik
Molecules 2023, 28(6), 2740; https://doi.org/10.3390/molecules28062740 - 17 Mar 2023
Cited by 2 | Viewed by 1087
Abstract
A series of bis-metalated phosphorescent [(N^C)2Ir(bipyridine)]+ complexes with systematic variations in the structure and electronic characteristics of the N^C ligands were synthesized and characterized by using elemental analysis, mass spectrometry, NMR spectroscopy and X-ray crystallography. Investigation of the complexes’ spectroscopic [...] Read more.
A series of bis-metalated phosphorescent [(N^C)2Ir(bipyridine)]+ complexes with systematic variations in the structure and electronic characteristics of the N^C ligands were synthesized and characterized by using elemental analysis, mass spectrometry, NMR spectroscopy and X-ray crystallography. Investigation of the complexes’ spectroscopic properties together with DFT and TD DFT calculations revealed that metal-to-ligand charge transfer (MLCT) and intraligand (LC) transition play key roles in the generation of emissive triplet states. According to the results of theoretical studies, the 3LC excited state is more accurate to consider as an intraligand charge transfer process (ILCT) between N- and C-coordinated moieties of the N^C chelate. This hypothesis is completely in line with the trends observed in the experimental absorption and emission spectra, which display systematic bathochromic shifts upon insertion of electron-withdrawing substituents into the N-coordinated fragment. An analogous shift is induced by expansion of the aromatic system of the C-coordinated fragment and insertion of polarizable sulfur atoms into the aromatic rings. These experimental and theoretical findings extend the knowledge of the nature of photophysical processes in complexes of this type and provide useful instruments for fine-tuning of their emissive characteristics. Full article
(This article belongs to the Special Issue Optical Properties of Metal Complexes)
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12 pages, 3152 KiB  
Article
An Oligopeptide-Protected Ultrasmall Gold Nanocluster with Peroxidase-Mimicking and Cellular-Imaging Capacities
by Daoqing Fan, Jiale Ou, Ling Chen, Lichao Zhang, Zhiren Zheng, Haizhu Yu, Xiangming Meng and Manzhou Zhu
Molecules 2023, 28(1), 70; https://doi.org/10.3390/molecules28010070 - 21 Dec 2022
Cited by 2 | Viewed by 1378
Abstract
Recent decades have witnessed the rapid progress of nanozymes and their high promising applications in catalysis and bioclinics. However, the comprehensive synthetic procedures and harsh synthetic conditions represent significant challenges for nanozymes. In this study, monodisperse, ultrasmall gold clusters with peroxidase-like activity were [...] Read more.
Recent decades have witnessed the rapid progress of nanozymes and their high promising applications in catalysis and bioclinics. However, the comprehensive synthetic procedures and harsh synthetic conditions represent significant challenges for nanozymes. In this study, monodisperse, ultrasmall gold clusters with peroxidase-like activity were prepared via a simple and robust one-pot method. The reaction of clusters with H2O2 and 3,3′,5,5′-tetramethylbenzidine (TMB) followed the Michaelis-Menton kinetics. In addition, in vitro experiments showed that the prepared clusters had good biocompatibility and cell imaging ability, indicating their future potential as multi-functional materials. Full article
(This article belongs to the Special Issue Optical Properties of Metal Complexes)
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12 pages, 3782 KiB  
Article
Pillar-Layered Metal-Organic Frameworks for Sensing Specific Amino Acid and Photocatalyzing Rhodamine B Degradation
by Zi-Qing Huang, Shu-Man Zhao, Jia-Qi Chen, Yue Zhao and Wei-Yin Sun
Molecules 2022, 27(21), 7551; https://doi.org/10.3390/molecules27217551 - 03 Nov 2022
Cited by 9 | Viewed by 1794
Abstract
Metal-organic frameworks (MOFs) have presented potential for detection of specific species and catalytic application due to their diverse framework structures and functionalities. In this work, two novel pillar-layered MOFs [Cd6(DPA)2(NTB)4(H2O)4]n·n(DPA·5DMA·H2 [...] Read more.
Metal-organic frameworks (MOFs) have presented potential for detection of specific species and catalytic application due to their diverse framework structures and functionalities. In this work, two novel pillar-layered MOFs [Cd6(DPA)2(NTB)4(H2O)4]n·n(DPA·5DMA·H2O) (1) and [Cu2(DPA)(OBA)2]n·n(2.5DMF·H2O) (2) [DPA = 2,5-di(pyridin-4-yl)aniline, H3NTB = 4,4′,4′′-nitrilotribenzoic acid, H2OBA = 4,4′-oxydibenzoic acid, DMA = N,N-dimethylacetamide, DMF = N,N-dimethylformamide] were successfully synthesized and structurally characterized. Both 1 and 2 have three-dimensional framework structures. The fluorescent property of 1 makes it possible for sensing specific amino acid such as L-glutamic acid (Glu) and L-aspartic acid (Asp). While MOF 2 was found to be suitable for photocatalytic degradation of Rhodamine B (RhB) in the presence of H2O2. The results imply that MOFs are versatile and metal centers are important in determining their properties. Full article
(This article belongs to the Special Issue Optical Properties of Metal Complexes)
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16 pages, 4722 KiB  
Article
Spectroscopic Behaviour of Copper(II) Complexes Containing 2-Hydroxyphenones
by Emmie Chiyindiko, Ernst H. G. Langner and Jeanet Conradie
Molecules 2022, 27(18), 6033; https://doi.org/10.3390/molecules27186033 - 16 Sep 2022
Cited by 4 | Viewed by 2377
Abstract
Theoretical investigations by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods shed light on how the type of ligand or attached groups influence the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of the Cu(II) complexes under study. [...] Read more.
Theoretical investigations by density functional theory (DFT) and time-dependent DFT (TD-DFT) methods shed light on how the type of ligand or attached groups influence the electronic structure, absorption spectrum, electron excitation, and intramolecular and interfacial electron transfer of the Cu(II) complexes under study. The findings provide new insight into the designing and screening of high-performance dyes for dye-sensitized solar cells (DSSCs). Full article
(This article belongs to the Special Issue Optical Properties of Metal Complexes)
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12 pages, 2548 KiB  
Article
A Red-Emitting Cu(I)–Halide Cluster Phosphor with Near-Unity Photoluminescence Efficiency for High-Power wLED Applications
by Wenjiang Zhaxi, Miao Li, Jing Wu, Luying Liu, Zetao Huang, Huixian Miao, Xiao Ma, Shenlong Jiang, Qun Zhang, Wei Huang and Dayu Wu
Molecules 2022, 27(14), 4441; https://doi.org/10.3390/molecules27144441 - 11 Jul 2022
Cited by 6 | Viewed by 1784
Abstract
Solid-state lighting technology, where light-emitting diodes (LEDs) are used for energy conversion from electricity to light, is considered a next-generation lighting technology. One of the significant challenges in the field is the synthesis of high-efficiency phosphors for designing phosphor-converted white LEDs under high [...] Read more.
Solid-state lighting technology, where light-emitting diodes (LEDs) are used for energy conversion from electricity to light, is considered a next-generation lighting technology. One of the significant challenges in the field is the synthesis of high-efficiency phosphors for designing phosphor-converted white LEDs under high flux operating currents. Here, we reported the synthesis, structure, and photophysical properties of a tetranuclear Cu(I)–halide cluster phosphor, [bppmCu2I2]2 (bppm = bisdiphenylphosphinemethane), for the fabrication of high-performance white LEDs. The PL investigations demonstrated that the red emission exhibits a near-unity photoluminescence quantum yield at room temperature and unusual spectral broadening with increasing temperature in the crystalline state. Considering the excellent photophysical properties, the crystalline sample of [bppmCu2I2]2 was successfully applied for the fabrication of phosphor-converted white LEDs. The prototype white LED device exhibited a continuous rise in brightness in the range of a high bias current (100–1000 mA) with CRI as high as 84 and CCT of 5828 K, implying great potential for high-quality white LEDs. Full article
(This article belongs to the Special Issue Optical Properties of Metal Complexes)
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18 pages, 11783 KiB  
Article
UV-Vis Spectroscopy, Electrochemical and DFT Study of Tris(β-diketonato)iron(III) Complexes with Application in DSSC: Role of Aromatic Thienyl Groups
by Marrigje M. Conradie
Molecules 2022, 27(12), 3743; https://doi.org/10.3390/molecules27123743 - 10 Jun 2022
Cited by 3 | Viewed by 2942
Abstract
A series of tris(β-diketonato)iron(III) complexes, with the β-diketonato ligand bearing different substituent groups, have been synthesized and characterized by Fourier transform infrared (FT-IR), ultraviolet-visible (UV-Vis) and mass spectroscopic methods. The maximum band UV-Vis absorption wavelengths of the tris(β-diketonato)iron(III) complexes were in the range [...] Read more.
A series of tris(β-diketonato)iron(III) complexes, with the β-diketonato ligand bearing different substituent groups, have been synthesized and characterized by Fourier transform infrared (FT-IR), ultraviolet-visible (UV-Vis) and mass spectroscopic methods. The maximum band UV-Vis absorption wavelengths of the tris(β-diketonato)iron(III) complexes were in the range of 270–380 nm. The complexes have very good solubility in various solvents such as chloroform, dichloromethane, ethyl acetate, tetrahydrofurane, dimethylsulphoxide and dimethylformamide. After the syntheses and characterization processes, spectroscopic and electrochemical properties of these tris(β-diketonato)iron(III) complexes were investigated. A density functional theory (DFT) study related to the spectroscopic and electrochemical properties of the tris(β-diketonato)iron(III) complexes was used to investigate the possible application of these complexes as dye sensitizers or redox mediators in dye-sensitized solar cells. Full article
(This article belongs to the Special Issue Optical Properties of Metal Complexes)
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