@article {43610,
	title = {Reactions of a Bis(pentalene)dititanium complex with alkenes; the molecular structure of the butadiene complex [Ti2({\textmu}: η5,η5-Pn{\textdagger}{\textdagger})2(μ: η2,η2-s-trans-C4H6)] (Pn{\textdagger}{\textdagger} = 1,4-(SiiPr3)2-C8H4)},
	journal = {Polyhedron},
	volume = {212},
	year = {2022},
	month = {2022},
	publisher = {Elsevier Ltd},
	abstract = {Reaction of the syn-bimetallic complex [Ti2({\textmu}:η5,η5-Pn{\textdagger}{\textdagger})2] (1) (Pn{\textdagger}{\textdagger} = 1,4-(SiiPr3)2-C8H4) with 1,3-trans-butadiene in toluene results in the clean formation of the 1:1 adduct [Ti2({\textmu}:η5,η5-Pn{\textdagger}{\textdagger})2(μ: η2,η2-s-trans-C4H6)] (2) featuring an essentially planar butadiene ligand. Complex (2) represents the first example of a bimetallic early transition metal complex where a coordinated butadiene adopts such a conformation. When (1) is reacted with propene an unexpected {\textquotedblleft}tuck-over{\textquotedblright} alkene π-complex (3) is formed with co-current loss of propane. Complex (3) features a coordinated η2,η1 vinylic (H2C = CMe)-SiiPr2-Pn{\textdagger} moiety as a result of C{\textendash}H activation of one of the isopropyl substituents of the SiiPr3 groups on the Pn{\textdagger}{\textdagger} supporting ligand. One of the hydrogens of this secondary vinylic moiety is significantly shifted upfield in the 1H NMR spectrum of (3) and a single crystal XRD study shows an interaction between this hydrogen and one of the Ti centres. Preliminary kinetic studies of the formation of (3) show a slightly negative entropy of activation and 1st order consumption of (1) both of which suggest the involvement of a Ti-H(iPr) agostic interaction during the cyclometallation reaction.},
	keywords = {Agostic, Alkene complex, Pentalene. bi-metallic, Titanium},
	author = {Molloy, Matthew and Kilpatrick, Alexander F.R. and Tsoureas, Nikolaos and Cloke, F. Geoffrey N.}
}
