Publikace detail

The stabilization of low-hapticity complexes by intramolecular coordination

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

Rok: 2017

Druh publikace: ostatní - přednáška nebo poster

Strana od-do: nestránkováno

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
eng	The stabilization of low-hapticity complexes by intramolecular coordination	In the following post, syntheses and properties of sixth group transition metal complexes of the type [{(h3:kN-C9H6N)C9H6}M(CO)2(NCMe)2][BF4] will be discussed. The acetonitrile ligands have weak coordination properties, but the indenyl ligand is strictly h3-bonded and no evidence for haptotropic rearrangement at room temperature was observed. To get an insight into the surprising stability of the h3-bonded indenyl, DFT calculations at B3LYP/cc-pVDZ-PP level of theory were performed. The theoretical study proved that strong donor-acceptor N-Mo interaction leads to kinetic stabilization of the complexes with the h3-coordinated indenyl ligand. Furthermore, the calculations show that rotation of indenyl ligand is a key step of haptotropic rearrangement.	indenyl; molybden

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