Issue 28, 2022

Reaction of a bis(pentafulvene)titanium complex with an N-heterocyclic olefin: C–H-activation leads to resonance between a titanium vinyl and titanium alkylidene complex

Abstract

The N-heterocyclic olefin (NHO) ImMe4[double bond, length as m-dash]CH2 (2) (ImMe4[double bond, length as m-dash]CH2 = (MeCNMe)2C[double bond, length as m-dash]CH2) was employed for the synthesis of the titanium complex 3 derived from an NHO ligand precursor. By reacting 2 with the bis(π–η5:σ–η1-pentafulvene)titanium complex 1a, the terminal ylidic methylene unit of 2 is deprotonated by the quaternary exocyclic carbon atom of one pentafulvene ligand of 1a yielding the titanium complex 3 which bears an anionic NHO ligand (ImMe4[double bond, length as m-dash]CH). 3 was characterized by NMR spectroscopy, single crystal X-ray diffraction and quantum chemical calculations. The latter highlight that 3 is best described as a titanium vinyl complex with significant contribution of the titanium alkylidene resonance structure.

Graphical abstract: Reaction of a bis(pentafulvene)titanium complex with an N-heterocyclic olefin: C–H-activation leads to resonance between a titanium vinyl and titanium alkylidene complex

Supplementary files

Article information

Article type
Communication
Submitted
03 jan 2022
Accepted
07 feb 2022
First published
07 feb 2022
This article is Open Access
Creative Commons BY license

Dalton Trans., 2022,51, 10690-10696

Reaction of a bis(pentafulvene)titanium complex with an N-heterocyclic olefin: C–H-activation leads to resonance between a titanium vinyl and titanium alkylidene complex

M. Fischer, M. M. D. Roy, S. Hüller, M. Schmidtmann and R. Beckhaus, Dalton Trans., 2022, 51, 10690 DOI: 10.1039/D2DT00014H

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