Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins

Description:

This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).

Creator(s):
Creation Date: October 4, 2007
Partner(s):
UNT College of Arts and Sciences
Collection(s):
UNT Scholarly Works
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Creator (Author):
Foley, Nicholas A.

North Carolina State University

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Lail, Marty

North Carolina State University

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Gunnoe, T. Brent

North Carolina State University

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Cundari, Thomas R., 1964-

University of North Texas

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Boyle, Paul D.

North Carolina State University

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Petersen, Jeffrey L.

West Virginia University

Publisher Info:
Publisher Name: American Chemical Society
Place of Publication: [Washington, DC]
Date(s):
  • Creation: October 4, 2007
Description:

This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).

Degree:
Department: Chemistry
Note:

Reprinted with permission from Organometallics. Copyright 2007 American Chemical Society.

Note:

Abstract: Complexes of the type TpRu{P(pyr)3} (L)R {L = PPh3 or NCMe; R = Cl, OTf = trifluoromethanesulfonate), Me, or Ph; Tp = hydridotris(pyrazolyl)borate; pyr = N-pyrrolyl} and TpRu-{κ2-P, C-P(pyr)2(NC4H3)}NCMe. TpRu{P(pyr)3}(NCMe)Ph catalyzes the hydrophenylation of ethylene in benzene to produce ethylene by TpRu{P(pyr)3}(NCMe)Ph suggest that inefficient catalysis is not due to difficulty in the C-H activation of benzene by the active catalyst species, but rather likely arises from the steric bulk of the tris-N-pyrrolyl phosphine ligand, which inhibits coordination of ethylene and thus thwarts c-C bond formation.

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10 p.

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Subject(s):
Keyword(s): C-H bonds | catalytic hydroarylation | olefins
Source: Organometallics, 2007, Washington DC: American Chemical Society, pp. 5507-5516
Partner:
UNT College of Arts and Sciences
Collection:
UNT Scholarly Works
Identifier:
  • DOI: 10.1021/om700666y
  • ARK: ark:/67531/metadc77189
Resource Type: Article
Format: Text
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Access: Public
Citation:
Publication Title: Organometallics
Volume: 26
Page Start: 5507
Page End: 5516
Pages: 10
Peer Reviewed: Yes