Methane activation and exchange by titanium-carbon multiple bonds

Jaime A. Flores, Vincent N. Cavaliere, Dominik Buck, Balázs Pintér, George Chen, Marco G. Crestani, Mu Hyun Baik, Daniel J. Mindiola

Research output: Contribution to journalArticlepeer-review

68 Scopus citations


We demonstrate that a titanium-carbon multiple bond, specifically an alkylidyne ligand in the transient complex, (PNP)TiCtBu (A) (PNP - = N[2-P(CHMe2)2-4-methylphenyl]2), can cleanly activate methane at room temperature with moderately elevated pressures to form (PNP)TiCHtBu(CH3). Isotopic labeling and theoretical studies suggest that the alkylidene and methyl hydrogens exchange, either via tautomerization invoking a methylidene complex, (PNP)TiCH 2(CH2tBu), or by forming the methane adduct (PNP)TiCtBu(CH4). The thermal, fluxional and chemical behavior of (PNP)TiCHtBu(CH3) is also presented in this study.

Original languageEnglish (US)
Pages (from-to)1457-1462
Number of pages6
JournalChemical Science
Issue number8
StatePublished - Aug 2011
Externally publishedYes

ASJC Scopus subject areas

  • General Chemistry


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