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Heterobimetallic Bisphosphonate Titanium Complexes: Carbene-Like Carbanions?

Martin Spichty, Klaus J Kulicke, Markus Neuburger, Silvia Schaffner, and Juergen F Mueller (2008)

European journal of inorganic chemistry, 2008(32):5024–5028.

A new class of carbene-like titanium complexes is easily accessible by means of a dilithiation–transmetallation sequence of a bisphosphonate. The X-ray structure of the dimeric, organometallic compound 3 reveals a nano-sized, multi-layer aggregate with titanium-metallated, trigonal planar carbon centers being devoid of Li contacts. DFT calculations show that the metallated carbon is a carbanion with only a slight carbene portion (10 %); the carbene character can be easily strengthened or weakened by varying the counterion. We anticipate that the sensitivity and flexibility to influence the electronic character of these carbene-like carbanions offers a way to design new versatile reagents with variable chemical properties.

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