Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms
Various data on the structural and thermodynamic characteristics of polynuclear metal clusters containing atoms of aluminum and various <i>d</i>-elements with the general formula Al<i><sub>n</sub></i>M<b><i><sub>m</sub></i></b>...
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MDPI AG
2020-04-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/13/8/1852 |
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| author | Oleg V. Mikhailov Denis V. Chachkov |
| author_facet | Oleg V. Mikhailov Denis V. Chachkov |
| author_sort | Oleg V. Mikhailov |
| collection | DOAJ |
| description | Various data on the structural and thermodynamic characteristics of polynuclear metal clusters containing atoms of aluminum and various <i>d</i>-elements with the general formula Al<i><sub>n</sub></i>M<b><i><sub>m</sub></i></b> where (<i>n + m</i>) is 4, 5, or 6, and which can be precursors for the formation of nanoparticles of elemental metals or intermetallic compounds, have been systematized and discussed. It has been noted that each of these metal clusters in principle is able to exist in very diverse structural isomers, differing significantly among themselves in terms of the total energy and spin multiplicity of the ground state, the number of which is determined by both the specific values of <i>n</i> and <i>m</i>, and the nature of <i>d</i>-elements in their compositions. The presence of very complex dynamics with respect to the changes of the individual thermodynamic characteristics of the metal clusters under consideration as well as the thermodynamic parameters of the reactions of their formation, depending on the nature of the <i>d</i>-element, were also ascertained. In the main, the given review is devoted to the authors’ works published over the last 10 years. Bibliography – 96 references. |
| first_indexed | 2024-03-10T20:28:38Z |
| format | Article |
| id | doaj.art-feef0926f2814dadbabd5e43bfa4a267 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-10T20:28:38Z |
| publishDate | 2020-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-feef0926f2814dadbabd5e43bfa4a2672023-11-19T21:39:10ZengMDPI AGMaterials1996-19442020-04-01138185210.3390/ma13081852Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element AtomsOleg V. Mikhailov0Denis V. Chachkov1Department of Analytical Chemistry, Certification and Quality Management, Kazan National Research Technological University, K. Marx Street 68, 420015 Kazan, RussiaKazan Department of Joint Supercomputer Center of Russian Academy of Sciences – Branch of Federal Scientific Center “Scientific Research Institute for System Analysis of the RAS”, Lobachevskii Street 2/31, 420111 Kazan, RussiaVarious data on the structural and thermodynamic characteristics of polynuclear metal clusters containing atoms of aluminum and various <i>d</i>-elements with the general formula Al<i><sub>n</sub></i>M<b><i><sub>m</sub></i></b> where (<i>n + m</i>) is 4, 5, or 6, and which can be precursors for the formation of nanoparticles of elemental metals or intermetallic compounds, have been systematized and discussed. It has been noted that each of these metal clusters in principle is able to exist in very diverse structural isomers, differing significantly among themselves in terms of the total energy and spin multiplicity of the ground state, the number of which is determined by both the specific values of <i>n</i> and <i>m</i>, and the nature of <i>d</i>-elements in their compositions. The presence of very complex dynamics with respect to the changes of the individual thermodynamic characteristics of the metal clusters under consideration as well as the thermodynamic parameters of the reactions of their formation, depending on the nature of the <i>d</i>-element, were also ascertained. In the main, the given review is devoted to the authors’ works published over the last 10 years. Bibliography – 96 references.https://www.mdpi.com/1996-1944/13/8/1852metal clusteraluminum<i>d</i>-elementmolecular structurethermodynamic parametersDFT method |
| spellingShingle | Oleg V. Mikhailov Denis V. Chachkov Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms Materials metal cluster aluminum <i>d</i>-element molecular structure thermodynamic parameters DFT method |
| title | Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms |
| title_full | Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms |
| title_fullStr | Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms |
| title_full_unstemmed | Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms |
| title_short | Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3<i>d</i>-Element Atoms |
| title_sort | quantum chemical design of molecular structures of tetra penta and hexanuclear metal clusters containing aluminum and 3 i d i element atoms |
| topic | metal cluster aluminum <i>d</i>-element molecular structure thermodynamic parameters DFT method |
| url | https://www.mdpi.com/1996-1944/13/8/1852 |
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