Electronic structure and coordination chemistry of phenanthridine ligand in first-row transition metal complexes: A DFT study

The geometric parameters, electronic structures, and haptotropic migration of a series of hypothetical compounds of general formula CpM(C13H9N) and (CO)3M(C13H9N) (M = fist row transition metal, Cp = C5H5, and C13H9N = phenanthridine ligand) are investigated by means of the density functional theory...

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Veröffentlicht in:	International journal of quantum chemistry 2013-04, Vol.113 (7), p.985-996
Hauptverfasser:	Benmachiche, Akila, Zendaoui, Saber-Mustapha, Bouaoud, Salah-Eddine, Zouchoune, Bachir
Format:	Artikel
Sprache:	eng
Schlagworte:	bonding analysis Chemistry coordination chemistry haptotropic migration density functional theory electronic structure Ligands Physical chemistry Polycyclic aromatic hydrocarbons Quantum physics Studies
Online-Zugang:	Volltext
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