Mechanistic analysis of iridium heteroatom C-H activation: Evidence for an internal electrophilic substitution mechanism

Jonas Oxgaard; William J. Tenn; Robert J. Nielsen; Roy A. Periana; William A. Goddard

doi:10.1021/om061189b

Mechanistic analysis of iridium heteroatom C-H activation: Evidence for an internal electrophilic substitution mechanism

Jonas Oxgaard
, William J. Tenn
, Robert J. Nielsen
, Roy A. Periana
, William A. Goddard

Beckman Institute
University of Southern California

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

148 Citations (Scopus)

Résumé

The mechanism responsible for C-H activation in Ir(acac) ₂(OCH₃)(C₆H₆) has been identified and described as an internal electrophilic substitution (IES) mechanism, on the basis of orbital changes and predicted reactivity. In this IES mechanism, the lone pair on a M-X ligand forms an X-H bond, while the orbital making up the M-X bond turns into a coordinating lone pair.

langue originale	Anglais
Pages (de - à)	1565-1567
Nombre de pages	3
journal	Organometallics
Volume	26
Numéro de publication	7
Les DOIs	https://doi.org/10.1021/om061189b
état	Publié - 26 mars 2007
Modification externe	Oui

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10.1021/om061189b

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title = "Mechanistic analysis of iridium heteroatom C-H activation: Evidence for an internal electrophilic substitution mechanism",

abstract = "The mechanism responsible for C-H activation in Ir(acac) 2(OCH3)(C6H6) has been identified and described as an internal electrophilic substitution (IES) mechanism, on the basis of orbital changes and predicted reactivity. In this IES mechanism, the lone pair on a M-X ligand forms an X-H bond, while the orbital making up the M-X bond turns into a coordinating lone pair.",

author = "Jonas Oxgaard and Tenn, \{William J.\} and Nielsen, \{Robert J.\} and Periana, \{Roy A.\} and Goddard, \{William A.\}",

year = "2007",

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T1 - Mechanistic analysis of iridium heteroatom C-H activation

T2 - Evidence for an internal electrophilic substitution mechanism

AU - Oxgaard, Jonas

AU - Tenn, William J.

AU - Nielsen, Robert J.

AU - Periana, Roy A.

AU - Goddard, William A.

PY - 2007/3/26

Y1 - 2007/3/26

N2 - The mechanism responsible for C-H activation in Ir(acac) 2(OCH3)(C6H6) has been identified and described as an internal electrophilic substitution (IES) mechanism, on the basis of orbital changes and predicted reactivity. In this IES mechanism, the lone pair on a M-X ligand forms an X-H bond, while the orbital making up the M-X bond turns into a coordinating lone pair.

AB - The mechanism responsible for C-H activation in Ir(acac) 2(OCH3)(C6H6) has been identified and described as an internal electrophilic substitution (IES) mechanism, on the basis of orbital changes and predicted reactivity. In this IES mechanism, the lone pair on a M-X ligand forms an X-H bond, while the orbital making up the M-X bond turns into a coordinating lone pair.

U2 - 10.1021/om061189b

DO - 10.1021/om061189b

M3 - Article

AN - SCOPUS:34047247918

SN - 0276-7333

VL - 26

SP - 1565

EP - 1567

JO - Organometallics

JF - Organometallics

IS - 7

ER -

Mechanistic analysis of iridium heteroatom C-H activation: Evidence for an internal electrophilic substitution mechanism

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