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Crystals
Special Issues
Synthesis, Structure, and Characterization of Metal-Organic Complexes
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Synthesis, Structure, and Characterization of Metal-Organic Complexes

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: closed (15 October 2023) | Viewed by 5879

Special Issue Editors

Dr. Zhou Lu

E-Mail Website
Guest Editor
Department of Chemistry, University of Rochester, New York, NY 14627, USA
Interests: metallophilicity; photophysics; supramolecular and non-covalent interaction; polyoxometalate; computational chemistry
Dr. Yizhen Chen

E-Mail Website
Guest Editor
Department of Chemistry, University of Virginia, Charlottesville, VA 22904, USA
Interests: atomically dispersed supported metal catalysts; heterogeneous catalysis; nanomaterials; X-ray absorption spectroscopy; surface chemistry
Special Issues, Collections and Topics in MDPI journals
Dr. Elizabeth Hillard

E-Mail Website
Guest Editor
ICMCB-UMR CNRS 5026, Université de Bordeaux, 87 Avenue Albert Schweitzer, Pessac CEDEX 33608, France
Interests: electronic and chemical structure of complexes with metal-metal interactions; enantiomeric resolution and dissymmetric crystallization; chiropical and magnetochiroptical properties of chiral complexes; molecular magnetism in discrete complexes and coordination polymers; nanochirality

Special Issue Information

Dear Colleagues,

Due to unique coordination and electronic geometry and physicochemical properties, metal–organic complexes have been widely developed in potential applications, including catalysis, photophysics, and energy storage. Over recent decades, significant progress and breakthroughs have been achieved to further expand the metal–organic complex family. This Special Issue of Crystals aims to report on the synthesis, novel structures, and practical applications of metal–organic complexes, covering a range of topics, from experimental results to theoretical discoveries. Potential topics include but are not limited to:

  • Synthesis or methodology development and crystallography of new metal–organic complexes;
  • Catalytic reactions, including homogeneous and heterogeneous applications;
  • Light-harvesting, photophysical, and photochemical applications;
  • Energy storage, conversion materials;
  • Theoretical discoveries on the electronic structures, bonding behaviors, and mechanism studies.

There is no restriction on the length and type of papers, and contributions of original research articles, reviews, perspectives, and letters are welcome.

Dr. Zhou Lu
Dr. Yizhen Chen
Dr. Elizabeth Hillard
Guest Editors

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. Crystals is an international peer-reviewed open access monthly 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 2100 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–organic complex
  • catalysis
  • photophysics
  • computation chemistry
  • spectroscopy

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

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Research

10 pages, 3799 KiB  
Article
A Foldable Metal–Organic Framework with cds Topology Assembled via Four-Connected Square-Planar Single Ni2+-Ion Nodes and Linear Bidentate Linkers
by Zhi-Chun Shi, Xiaoliang Wang, Vadym Drozd and Raphael G. Raptis
Crystals 2024, 14(1), 40; https://doi.org/10.3390/cryst14010040 - 28 Dec 2023
Viewed by 1368
Abstract
A binary, three-dimensional (3D), foldable, Metal–Organic Framework (MOF) of formula {[trans-Ni(H2O)2(μ-4,4′-bpy)2](ClO4)2}n (1), with CdSO4 (65 8), cds, topology, based on four-connected (4-c) square-planar single Ni [...] Read more.
A binary, three-dimensional (3D), foldable, Metal–Organic Framework (MOF) of formula {[trans-Ni(H2O)2(μ-4,4′-bpy)2](ClO4)2}n (1), with CdSO4 (65 8), cds, topology, based on four-connected (4-c) square-planar single Ni2+ ion nodes and two-connected (2-c) linear rigid 4,4′-bipyridine (4,4′-bpy) ligands, was synthesized and structurally characterized via single crystal X-ray crystallography. The 41° dihedral angle between two distinct coordination environments within the 3D network of 1 produced the self-dual topology of Ni2+ nodes. Two rectangular 1D channels ran parallel to the crystallographic a-axis and b-axis, respectively, creating a 44.2% volume porosity, probed by gas (N2, CO2, and H2) sorption studies. The PXRD, FT-IR, Raman, EDS, and SEM methods were employed for the study of 1. A thermogravimetric analysis (TGA) showed that coordinated water molecules were readily removed upon heating, whereas the 3D lattice remained intact up to 370 °C. Full article
(This article belongs to the Special Issue Synthesis, Structure, and Characterization of Metal-Organic Complexes)
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12 pages, 2489 KiB  
Article
Prediction of Carbon Dioxide and Methane Adsorption on UiO-66 Metal–Organic Framework via Molecular Simulation
by João M. M. Maia, Rui P. P. L. Ribeiro and José P. B. Mota
Crystals 2023, 13(10), 1523; https://doi.org/10.3390/cryst13101523 - 20 Oct 2023
Cited by 4 | Viewed by 2338
Abstract
The adsorption equilibrium of methane (CH4) and carbon dioxide (CO2) on the metal–organic framework (MOF) UiO-66 is studied via molecular simulation. UiO-66 is a versatile MOF with vast potential for various adsorption processes, such as biogas upgrading, CO2 [...] Read more.
The adsorption equilibrium of methane (CH4) and carbon dioxide (CO2) on the metal–organic framework (MOF) UiO-66 is studied via molecular simulation. UiO-66 is a versatile MOF with vast potential for various adsorption processes, such as biogas upgrading, CO2 capture, and natural gas storage. The molecular simulations employ the grand canonical Monte Carlo (GCMC) method, covering a temperature range of 298–343 K and pressures up to 70 bar for CH4 and 30 bar for CO2. The accuracy of different forcefields in describing the adsorption equilibria is evaluated. Two modelling approaches are explored: (i) lumping each hydrogen atom in the MOF framework to the heavy atom it is bonded to (united atom approximation) and (ii) considering explicit hydrogen atoms. Additionally, the influence of electrical charges on CO2 adsorption is also evaluated. The findings indicate that the most effective forcefield to describe the adsorption equilibrium is a united atom forcefield based on the TraPPE parametrization. This approach also yields an accurate calculation of the isosteric heat of adsorption. In the case of CO2, it is observed that the use of electrical charges enhances the prediction of the heat of adsorption, especially in the low-coverage region. Full article
(This article belongs to the Special Issue Synthesis, Structure, and Characterization of Metal-Organic Complexes)
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9 pages, 912 KiB  
Communication
Synthesis and Crystal Structure of Dimethyl{N-[(2-oxy-1-naphthyl)methylene]leucinato}silicon
by Uwe Böhme and Sabine Fels
Crystals 2023, 13(9), 1407; https://doi.org/10.3390/cryst13091407 - 21 Sep 2023
Cited by 1 | Viewed by 1458
Abstract
The title compound was prepared by reaction of the Schiff base ligand N-(2-hydroxy-1-naphthylidene)leucine with dichlorodimethylsilane in the presence of triethylamine as base. The resulting pentacoordinate silicon complex was characterized by NMR, IR, UV-Vis spectroscopy and melting point. The structure was confirmed by single-crystal [...] Read more.
The title compound was prepared by reaction of the Schiff base ligand N-(2-hydroxy-1-naphthylidene)leucine with dichlorodimethylsilane in the presence of triethylamine as base. The resulting pentacoordinate silicon complex was characterized by NMR, IR, UV-Vis spectroscopy and melting point. The structure was confirmed by single-crystal X-ray diffraction data. It crystallizes in the monoclinic space group Ic with unit cell dimensions a = 7.2030(6), b = 22.9842(14), c = 10.8946(12) Å, β = 96.141(7)°, V = 1793.3(3) Å3, Z = 4. Full article
(This article belongs to the Special Issue Synthesis, Structure, and Characterization of Metal-Organic Complexes)
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