Publikace detail

Constrained-hapticity complexes: impact of strong intramolecular coordination

Autoři: Mrózek Ondřej | Honzíček Jan | Císařová Ivana | Vinklárek Jaromír

Rok: 2016

Druh publikace: ostatní - přednáška nebo poster

Strana od-do: nestránkováno

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
eng	Constrained-hapticity complexes: impact of strong intramolecular coordination	The mechanism of the h5-h3 ring slippage of indenyl ligand is intensively studied, since the significant role of haptotropic rearrangement on reactivity of molybdenum organometallic compound has been revealed [1]. Understanding of the mechanism is necessary for design low-hapticity complexes which are unique both for chemical reactivity and from structural aspect. As reported recently, hapticity of the indenyl ligand can be easily modified by coordination of the multidentate or bulky ligand [2,3]. Nevertheless, the impact of strong intramolecular coordination has not been described yet. The present work is focused on indenyl complexes of molybdenum and tungsten with intramolecularly coordinated quinoline fragment. Series of newly synthesized complexes exhibit unprecedented structural motif consisting of h3-bonded indenyl ligand and intramolecularly coordinated nitrogen atom. To get an insight into unusual stability of these h3-indenyl compounds, density functional theory calculations at B3LYP/LANL2TZ level of theory were performed. Theoretical study proved that strong donor-acceptor N®Mo interaction leads to kinetic stabilization of the complexes with h3-coordinated indenyl ligand (Fig. 1). In addition, theoretical survey show that rotation of indenyl ligand is a key step of haptotropic rearrangement.

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