Selective Isomerization and Transformation of Aromatic Hydrocarbons by Using Polynuclear Transition Metal Hydride Complexes

2015 Fiscal Year Final Research Report

• Project/Area Number: 26810041
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Inorganic chemistry
• Research Institution: Institute of Physical and Chemical Research
• Principal Investigator: Hu Shaowei 国立研究開発法人理化学研究所, 環境資源科学研究センター, 基礎科学特別研究員 (30713036)
• Project Period (FY): 2014-04-01 – 2016-03-31
• Keywords: C-C bond cleavage / titanium polyhydride / aromatic hydrocarbons

Outline of Final Research Achievements

The cleavage of carbon-carbon (C-C) bonds by transition metals is of fundamental interest. Here we found that the reaction of a trinuclear titanium polyhydride complex with benzene, in which benzene molecule was transformed to a methylcyclopentenyl unit through the cleavage and rearrangement of the benzene skeleton at ambient temperature. The DFT calculation was carried out to clarify the reaction mechanism, which indicated that this transformation was accomplished through the cooperation of the multiple Ti-H sites in a trinuclear titanium framework. Besides, we found the titanium hydride complex could show special reactivities toward other aromatics. This work demonstrated that multimetallic titanium hydrides can serve as a unique platform for the activation of aromatic molecules, offering new opportunities for the transformation and functionalization of inactive aromatics.

Free Research Field

化学