Multiple Bonding in the Chromium Dimer Supported by Two Diazadiene Ligands
| Autor: | Donald B. DuPré |
|---|---|
| Rok vydání: | 2009 |
| Předmět: |
Condensed Matter::Quantum Gases
Electron density Dimer Atoms in molecules chemistry.chemical_element Charge (physics) Photochemistry Quadruple bond chemistry.chemical_compound Chromium Delocalized electron Crystallography chemistry Physics::Atomic and Molecular Clusters Physical and Theoretical Chemistry Topology (chemistry) |
| Zdroj: | The Journal of Physical Chemistry A. 113:1559-1563 |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/jp808758h |
| Popis: | Analysis of the topology and delocalization of the electron density with the quantum theory of atoms in molecules (QTAIM) shows that the Cr(2) dimer when supported by two diazadiene ligands has a degree of bonding of 3.6--slightly less than that of a formal quadruple bond. The metal-ligand complex is held together by relatively weak dative bonds. Out-of-plane lone-pair-like charge concentrations on the nitrogen atoms are oriented so as to maximally avoid areas of charge concentration in the distorted inner-valence shell of the chromium atoms. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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