Title: Experimental Electron Density Analysis of Mn<sub>2</sub>(CO)<sub>10</sub>: Metal−Metal and Metal−Ligand Bond Characterization
Abstract:The experimental electron density rho(r) of Mn2(CO)10 was determined by a multipole analysis of accurate X-ray diffraction data at 120 K. The quantum theory of atoms in molecules (QTAM) was applied to...The experimental electron density rho(r) of Mn2(CO)10 was determined by a multipole analysis of accurate X-ray diffraction data at 120 K. The quantum theory of atoms in molecules (QTAM) was applied to rho(r) and its Laplacian [symbol: see text] 2 rho(r). The QTAM analysis of rho(r) showed the presence of a bond critical point (rc); its associated bond path connects the two Mn atoms, but no cross interaction line was found between one manganese and the equatorial carbonyls of the other. The distribution of [symbol: see text] 2 rho(r) indicated "closed-shell" interactions for the metallic Mn-Mn bond and the dative Mn-CO bonds. The values of the topological parameters of the density at rc, rho(rc), [symbol: see text] 2 rho(rc), G(rc) (kinetic energy density), and V(rc) (potential energy density), characterize the bonds and are intermediate to those corresponding to typical ionic and covalent bonds.Read More
Publication Year: 2000
Publication Date: 2000-05-01
Language: en
Type: article
Indexed In: ['crossref', 'pubmed']
Access and Citation
Cited By Count: 398
AI Researcher Chatbot
Get quick answers to your questions about the article from our AI researcher chatbot