Aluminum(i) β-diketiminato complexes activate C(sp2)-F and C(sp3)-F bonds by different oxidative addition mechanisms: A DFT study

Chloe E. Pitsch; Xiaotai Wang

doi:10.1039/c7cc03503a

Aluminum(i) β-diketiminato complexes activate C(sp²)-F and C(sp³)-F bonds by different oxidative addition mechanisms: A DFT study

Chloe E. Pitsch, Xiaotai Wang^*

^*Corresponding author for this work

University of Colorado Denver

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

15 Citations (Scopus)

Abstract

DFT computations reveal different reaction mechanisms for the oxidative addition of C(sp²)-F and C(sp³)-F bonds to the Al(i) complexes: a concerted mechanism for C(sp²)-F and a stepwise mechanism for C(sp³)-F involving fluoride transfer and the formation and recombination of an ion pair.

Original language	English
Pages (from-to)	8196-8198
Number of pages	3
Journal	Chemical Communications
Volume	53
Issue number	58
DOIs	https://doi.org/10.1039/c7cc03503a
Publication status	Published - 2017
Externally published	Yes

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10.1039/c7cc03503a

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title = "Aluminum(i) β-diketiminato complexes activate C(sp2)-F and C(sp3)-F bonds by different oxidative addition mechanisms: A DFT study",

abstract = "DFT computations reveal different reaction mechanisms for the oxidative addition of C(sp2)-F and C(sp3)-F bonds to the Al(i) complexes: a concerted mechanism for C(sp2)-F and a stepwise mechanism for C(sp3)-F involving fluoride transfer and the formation and recombination of an ion pair.",

author = "Pitsch, {Chloe E.} and Xiaotai Wang",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2017.",

year = "2017",

doi = "10.1039/c7cc03503a",

language = "English",

volume = "53",

pages = "8196--8198",

journal = "Chemical Communications",

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number = "58",

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T1 - Aluminum(i) β-diketiminato complexes activate C(sp2)-F and C(sp3)-F bonds by different oxidative addition mechanisms

T2 - A DFT study

AU - Pitsch, Chloe E.

AU - Wang, Xiaotai

N1 - Publisher Copyright: © The Royal Society of Chemistry 2017.

PY - 2017

Y1 - 2017

N2 - DFT computations reveal different reaction mechanisms for the oxidative addition of C(sp2)-F and C(sp3)-F bonds to the Al(i) complexes: a concerted mechanism for C(sp2)-F and a stepwise mechanism for C(sp3)-F involving fluoride transfer and the formation and recombination of an ion pair.

AB - DFT computations reveal different reaction mechanisms for the oxidative addition of C(sp2)-F and C(sp3)-F bonds to the Al(i) complexes: a concerted mechanism for C(sp2)-F and a stepwise mechanism for C(sp3)-F involving fluoride transfer and the formation and recombination of an ion pair.

UR - http://www.scopus.com/inward/record.url?scp=85024884719&partnerID=8YFLogxK

U2 - 10.1039/c7cc03503a

DO - 10.1039/c7cc03503a

M3 - Article

C2 - 28681885

AN - SCOPUS:85024884719

SN - 1359-7345

VL - 53

SP - 8196

EP - 8198

JO - Chemical Communications

JF - Chemical Communications

IS - 58

ER -

Aluminum(i) β-diketiminato complexes activate C(sp²)-F and C(sp³)-F bonds by different oxidative addition mechanisms: A DFT study

Abstract

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