Structure and Noncovalent Interactions of Molybdenum Disulfide Monolayers in the Layered Organo-inorganic Compound with Tetramethylguanidine
| Autor: | Vladimir I. Zaikovskii, N. D. Lenenko, Alexander S. Goloveshkin, Ivan E. Ushakov, Alexander A. Korlyukov, Alexandre S. Golub, Mariam G. Ezernitskaya, R.U. Takazova |
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| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_classification
Chemistry General Chemical Engineering Binding energy chemistry.chemical_element General Chemistry 010402 general chemistry 010403 inorganic & nuclear chemistry 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Crystallography Molybdenum Monolayer Molecule Non-covalent interactions Density functional theory Molybdenum disulfide Inorganic compound |
| Zdroj: | Russian Journal of Coordination Chemistry. 46:779-785 |
| ISSN: | 1608-3318 1070-3284 |
| Popis: | A layered compound with regularly alternating monolayers of MoS2 and N,N,N',N'-tetramethylguanidine (TMG) is synthesized by the reaction of monolayer dispersions of molybdenum disulfide containing anionic particles (MoS2)x– with protonated TMG molecules. It is found by a combination of methods (X‑ray diffraction analysis adapted for turbostrate-disordered systems, high-resolution transmission electron microscopy, FT-IR spectroscopy, and quantum-chemical calculations by the density functional theory) that the structure of MoS2 layers with octahedrally coordinated molybdenum atoms forming chains of Mo–Mo bonds is stabilized in the compound. Noncovalent binding interactions occur between the MoS2 monolayers and TMG molecules including CH…S, NH…S, and N…S contacts with the predominant contribution of contacts of the first type to the binding energy (СIF file CCDC no. 1 990439). |
| Databáze: | OpenAIRE |
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