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Title: Transition metal activation and functionalization of C-H bonds. Progress report, June 1, 1983-May 31, 1986

Technical Report ·
OSTI ID:5344975

This project has been directed towards the investigation of the fundamental thermodynamic and kinetic factors that influence carbon-hydrogen bond activation at homogeneous transition metal centers. The major accomplishments of this past three years have been: (1) to identify a new transition metal complex capable of activating both arene and alkane C-H bonds, (2) to quantitatively evaluate the stability of the hydrido aryl and hydrido alkyl complexes towards reductive elimination, (3) to measure the kinetic selectivity of the reactive intermediate towards alkane and arene C-H bonds, (4) to quantitatively determine the thermodynamics of alkane and arene oxidative addition, (5) to demonstrate that arenes are activated by way of formation of an eta/sup 2/-arene complex, (6) to quantitatively determine the kinetic and thermodynamic preference for intra vs intermolecular activation of arene and alkane C-H bonds, (7) to measure isotope effects for the oxidative addition/reductive elimination pathways as a means of confirming the proposed mechanism of reaction, and (8) to formulate a unified theory of C-H bond activation that applies to other transition metal complexes. The specific complexes involved in these studies are derivatives of the formulation (C/sub 5/Me/sub 5/)Rh(PMe/sub 3/)(R)H and (C/sub 5/Me/sub 5/)Rh(PMe/sub 2/R) (R)H.

Research Organization:
Rochester Univ., NY (USA)
DOE Contract Number:
AC02-83ER13095
OSTI ID:
5344975
Report Number(s):
DOE/ER/13095-2; ON: DE86015416
Country of Publication:
United States
Language:
English