Highly Effective Pincer-Ligated Iridium Catalysts for Alkane Dehydrogenation. DFT Calculations of Relevant Thermodynamic, Kinetic, and Spectroscopic Properties.

Autor: Zhu, Keming¹, Achord, Patrick D.¹, Zhang, Xiawei¹, Krogh-Jespersen, Karsten¹ agoidman@rutchem.rutgers.edu, Goldman, Alan S.¹ krogh@rutchem.rutgers.edu

Publikováno v: Journal of the American Chemical Society. 10/13/2004, Vol. 126 Issue 40, p13044-13053. 10p.

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On the mechanism of (PCP)Ir-catalyzed acceptorless dehydrogenation of alkanes: a combined computational and experimental study.

Autor: Krogh-Jespersen K; Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, New Brunswick, New Jersey 08903, USA. krogh@rutchem.rutgers.edu, Czerw M, Summa N, Renkema KB, Achord PD, Goldman AS

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2002 Sep 25; Vol. 124 (38), pp. 11404-16.