Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins

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This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins.

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14 p.

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Lail, Marty; Bell, Christen M.; Conner, David; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L. September 10, 2004.

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This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins.

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14 p.

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Reprinted with permission from Organometallics. Copyright 2004 American Chemical Society.

Abstract: Hydroarylation reactions of olefins are catalyzed by the octahedral Ru(II) complex TpRu-(CO)(NCMe)(Ph) (1) (Tp = hydridotris(pyrazolyl)borate). Experimental studies and density functional theory calculations support a reaction pathway that involves initial acetonitrile/olefin ligand exchange and subsequent olefin insertion into the ruthenium-phenyl bond. Metal-mediated C-H activation of arene to form a Ru-aryl bond with release of alkyl arene completes the proposed catalytic cycle. The cyclopentadienyl complex CpRu(PPh3)2(Ph) produces ethylbenzene and styrene from a benzene/ethylene solution at 90 ˚C; however, the transformation is not catalytic. A benzene solution of (PCP)Ru(CO)(Ph) (PCP = 2,6-)CH2Pt-Bu2)2C6H3) and ethylene at 90 ˚C produces styrene in 12% yield without observation of ethylbenzene. Computational studies (DFT) suggest that the C-H activation step does not proceed through the formation of a Ru(IV) oxidative addition intermediate but rather occurs by a concerted pathway.

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  • Organometallics, 2004, Washington DC: American Chemical Society, pp. 5007-5020

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  • Publication Title: Organometallics
  • Volume: 23
  • Page Start: 5007
  • Page End: 5020
  • Pages: 14
  • Peer Reviewed: Yes

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  • September 10, 2004

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  • March 9, 2012, 2:17 p.m.

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  • March 27, 2014, 4:45 p.m.

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Lail, Marty; Bell, Christen M.; Conner, David; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L. Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins, article, September 10, 2004; [Washington, DC]. (digital.library.unt.edu/ark:/67531/metadc77180/: accessed August 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.