Special Issue "The Role of Interactions in Complexes, Clusters and Crystal Structures—Theoretical Analyses and Experimental Evidences"
Deadline for manuscript submissions: 30 December 2023 | Viewed by 4458
Interests: coordination chemistry; quantum chemistry; chemistry of macrocyclic compounds; nanosciences; scientometrics
Special Issues, Collections and Topics in MDPI journals
Special Issue in Materials: Advanced Metal Chelate Complexes: Quantum-Chemical Consideration
Special Issue in Molecules: DFT Quantum Chemical Calculation of Metal Clusters
Special Issue in International Journal of Molecular Sciences: Simple Substances of Non-metals: Molecular Structures Modeling with Using DFT and More Advanced Methods of Quantum Chemistry
Special Issue in Publications: Modern Problems of Scientometric Assessment of Publication Activity
Special Issue in Molecules: Template Synthesis (Self-Assembly) of Macrocycles: Theory and Practice
Special Issue in Inorganics: Periodic Law and Systems of Chemical Elements: Yesterday, Today, Tomorrow
Special Issue in Journal of Functional Biomaterials: Green Biosynthesis of Nanomaterials for Biomedical Applications
Special Issue in Materials: Study on Synthesis and Properties of Metal-Containing Matrix Polymer Composites
Special Issue in International Journal of Molecular Sciences: Magnetism in Chemistry
Special Issue in International Journal of Molecular Sciences: Quantum-Chemical Modeling and Design of Chelate and Macrocyclic Metal Complexes 2.0
Special Issue in Inorganics: Nanoparticles of Metal-Containing Compounds: Fundamental Studies and Applications
Chemical elements form with each other an innumerable variety of the most diverse compounds, the formation of which, in turn, is associated with the presence of a wide variety of interactions—from a very strong one that occurs within the framework of the interaction between at least two nuclides and two socialized electrons and is accompanied by the formation of covalent bonds (which, when sufficiently a significant difference in the electronegativity of the atoms of the elements can transform into a quasi-ionic bond), to a very weak van der Waals (intermolecular) bond that occurs within the framework of dipole-dipole contacts. Namely these interactions, in addition to the nature of atoms, determine the physicochemical properties of the substances in which they take place; at the same time, there are very frequent cases when substances containing the same atoms in the structural unit and the same quantitative ratios between them exhibit very different physical and mechanical characteristics and reactivity. A classic example is boron nitride, which exists in at least three different modifications - layered hexagonal, dense hexagonal and cubic, differing both in their spatial structure and in the types of interactions between the boron and nitrogen atoms that make them up. With an increase in the complexity of the composition of chemical compounds, the nature of interactions between its constituent fragments becomes more complicated (both between individual atoms and between groups consisting of these same atoms). Such interactions play a special role in compounds located in the “boundary zone” between organic and inorganic substances, namely, in mono- and polynuclear coordination compounds with organic chelate and macrocyclic ligands, in particular in the so-called. clusters containing in the structural unit at least one chemical bond between atoms of metal elements. The identification of such interactions in compounds of this type is of great importance in coordination, organometallic, and supramolecular chemistry, since it allows one to vary them and, thereby, purposefully control both their synthesis and their physicochemical properties.
Taking into account all the above, this special issue is supposed to include mainly original full articles and brief communications devoted both to the development of theoretical ideas about the role of various interactions in the formation of molecular and crystalline structures, as well as the properties of various mono- and polynuclear coordination compounds, and revealing these interactions using various physicochemical methods of analysis and quantum chemical calculations. Articles that combine both of these approaches are especially welcome. Review articles may also be submitted for publication in this special issue.
Prof. Dr. Oleg Mikhailov
Manuscript Submission Information
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- macrocyclic compound
- crystal structure
- molecular structure
- quantum-chemical modeling