Heterolytic Benzene C-H Activation by a Cyclometalated Iridium(III) Dihydroxo Pyridyl Complex: Synthesis, Hydrogen-Deuterium Exchange, and Density Functional Study
نویسندگان
چکیده
Steven K. Meier, Kenneth J. H. Young, Daniel H. Ess, William J. Tenn, III, Jonas Oxgaard, William A. Goddard, III,* and Roy A. Periana* Department of Chemistry, Loker Hydrocarbon Institute, University of Southern California, Los Angeles, California 90089, Department of Chemistry, The Scripps Research Institute, Jupiter, Florida 33458, and Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125.
منابع مشابه
Theoretical study on the influence of ancillary and cyclometalated ligands on the electronic structures and optoelectronic properties of heteroleptic iridium(III) complexes.
We report a theoretical analysis of a series of heteroleptic iridium(III) complexes (dox)(2)Ir(acac) [dox = 2,5-diphenyl-1,3,4-oxadiazolato-N,C(2), acac = acetylacetonate] (1a), (fox)(2)Ir(acac) [fox = 2,5-bis(4-fluorophenyl)-1,3,4-oxadiazolato-N,C(2)] (1b), (fox)(2)Ir(Et(2)dtc) [Et(2)dtc = N,N'-diethyldithiocarbamate] (2), (fox)(2)Ir(Et(2)dtp) [Et(2)dtp = O,O'-diethyldithiophosphate] (3), (pyp...
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The synthesis of a series of allene complexes (POCOP)Ir(η²-RC=(.)=CR') 1b-4b (POCOP = 2,6-bis(di-tert-butylphosphonito)benzene) via isomerization of internal alkynes is reported. We have demonstrated that the application of this methodology is viable for the isomerization of a wide variety of alkyne substrates. Deuterium labeling experiments support our proposed mechanism. The structures of the...
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تاریخ انتشار 2009