Do Organometallic CH4-Me(+p) Adducts and X4H(+) (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion
Most of the systems possessing true two-electron three-center interactions are electron deficient compounds like boron hydrids, closo-boranes, and some organic ions such as butonium cations. In this work, we perform a detailed study of the electron distribution for two different types of systems to...
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Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2015-07, Vol.119 (27), p.7000-7012 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | Most of the systems possessing true two-electron three-center interactions are electron deficient compounds like boron hydrids, closo-boranes, and some organic ions such as butonium cations. In this work, we perform a detailed study of the electron distribution for two different types of systems to which likewise interactions has been adjudicated: organometallic CH4-Me(+p) (p = 1, 2) adducts with Me, alkaline and earth alkaline metallic ions of Li, Na, K, Be, Mg, Ca in their stable gaseous phase and X4H(+) (X = P, As) simple clusters. For this purpose, topological analysis of the electron density decomposed into its effectively paired and unpaired contributions has been carried out looking for complex interactions. |
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ISSN: | 1520-5215 |
DOI: | 10.1021/acs.jpca.5b03267 |