On the structure and fluxionality of mononuclear complexes of naphthalene: A DFT investigation of (naphthalene)MCp (M = Sc, V, Mn, Fe, Ni) and related complexes

Inorganica Chimica Acta

Volumn 391, Issue , 2012, Pages 98-104

  Deramchi, Karima ^a,b,c   Maouche, Boubekeur ^a   Fadel, Lotfi ^c,d   Kahlal, Samia ^c,d   Saillard, Jean Yves ^c,d  

^a UNIVERSITY OF SCIENCES AND TECHNOLOGY HOUARI BOUMEDIENE   (Algeria)

^b ECOLE NATIONALE POLYTECHNIQUE   (Algeria)

^c UNIVERSITÉ DE RENNES 1   (France)

^d UNIVERSITÉ EUROPÉENNE DE BRETAGNE   (France)

Author keywords

DFT; Haptotropic shifts; Polyaromatic ligand; Transition metal complexes

Indexed keywords

GROUND STATE; LIGANDS; METAL COMPLEXES; NICKEL COMPOUNDS; REACTION INTERMEDIATES; TRANSITION METALS;

COORDINATION MODES; FIRST ROW TRANSITION METALS; GROUND STATE CONFIGURATION; GROUND-STATE STRUCTURES; HAPTOTROPIC SHIFTS; MIGRATION MECHANISMS; MONONUCLEAR COMPLEXES; POLYAROMATICS;

NAPHTHALENE;

EID: 84862763600     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2012.05.016     Document Type: Article

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