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

Research output: Contribution to journal › Article › peer-review

148 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1565-1567
Number of pages	3
Journal	Organometallics
Volume	26
Issue number	7
DOIs	https://doi.org/10.1021/om061189b
Publication status	Published - 26 Mar 2007
Externally published	Yes

Access to Document

10.1021/om061189b

Cite this

@article{7bcfc0c95e7b4647b583cd67eaa43b3f,

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",

month = mar,

day = "26",

doi = "10.1021/om061189b",

language = "English",

volume = "26",

pages = "1565--1567",

journal = "Organometallics",

issn = "0276-7333",

publisher = "American Chemical Society",

number = "7",

}

TY - JOUR

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

Abstract

Access to Document

Fingerprint

Cite this