Experimental and theoretical investigations of consequence of ionic liquid anion on copper(I) catalyzed reaction of aryl iodide and thiols

Krishna M. Deshmukh; Rupa S. Madyal; Ziyauddin S. Qureshi; Vilas G. Gaikar; Bhalchandra M. Bhanage

doi:10.1021/ie3035338

Experimental and theoretical investigations of consequence of ionic liquid anion on copper(I) catalyzed reaction of aryl iodide and thiols

Krishna M. Deshmukh
, Rupa S. Madyal
, Ziyauddin S. Qureshi
, Vilas G. Gaikar^*
, Bhalchandra M. Bhanage

^*Corresponding author for this work

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

4 Scopus citations

Abstract

Diol functionalized ionic liquids (DFILs) with various anions as a ligand have been investigated for the copper(I)-catalyzed C-S coupling reaction. The dependence of reactivity and selectivity of the ionic liquids on the anion was demonstrated by experimental studies and supported by Density Functional Theory (DFT) calculations. The interaction energies obtained from the DFT calculations showed a good agreement with the experimental yields of the products.

Original language	English
Pages (from-to)	4747-4757
Number of pages	11
Journal	Industrial and Engineering Chemistry Research
Volume	52
Issue number	13
DOIs	https://doi.org/10.1021/ie3035338
State	Published - 3 Apr 2013
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

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title = "Experimental and theoretical investigations of consequence of ionic liquid anion on copper(I) catalyzed reaction of aryl iodide and thiols",

abstract = "Diol functionalized ionic liquids (DFILs) with various anions as a ligand have been investigated for the copper(I)-catalyzed C-S coupling reaction. The dependence of reactivity and selectivity of the ionic liquids on the anion was demonstrated by experimental studies and supported by Density Functional Theory (DFT) calculations. The interaction energies obtained from the DFT calculations showed a good agreement with the experimental yields of the products.",

author = "Deshmukh, \{Krishna M.\} and Madyal, \{Rupa S.\} and Qureshi, \{Ziyauddin S.\} and Gaikar, \{Vilas G.\} and Bhanage, \{Bhalchandra M.\}",

year = "2013",

month = apr,

day = "3",

doi = "10.1021/ie3035338",

language = "English",

volume = "52",

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publisher = "American Chemical Society",

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Experimental and theoretical investigations of consequence of ionic liquid anion on copper(I) catalyzed reaction of aryl iodide and thiols. / Deshmukh, Krishna M.; Madyal, Rupa S.; Qureshi, Ziyauddin S. et al.
In: Industrial and Engineering Chemistry Research, Vol. 52, No. 13, 03.04.2013, p. 4747-4757.

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

TY - JOUR

T1 - Experimental and theoretical investigations of consequence of ionic liquid anion on copper(I) catalyzed reaction of aryl iodide and thiols

AU - Deshmukh, Krishna M.

AU - Madyal, Rupa S.

AU - Qureshi, Ziyauddin S.

AU - Gaikar, Vilas G.

AU - Bhanage, Bhalchandra M.

PY - 2013/4/3

Y1 - 2013/4/3

N2 - Diol functionalized ionic liquids (DFILs) with various anions as a ligand have been investigated for the copper(I)-catalyzed C-S coupling reaction. The dependence of reactivity and selectivity of the ionic liquids on the anion was demonstrated by experimental studies and supported by Density Functional Theory (DFT) calculations. The interaction energies obtained from the DFT calculations showed a good agreement with the experimental yields of the products.

AB - Diol functionalized ionic liquids (DFILs) with various anions as a ligand have been investigated for the copper(I)-catalyzed C-S coupling reaction. The dependence of reactivity and selectivity of the ionic liquids on the anion was demonstrated by experimental studies and supported by Density Functional Theory (DFT) calculations. The interaction energies obtained from the DFT calculations showed a good agreement with the experimental yields of the products.

UR - https://www.scopus.com/pages/publications/84875780944

U2 - 10.1021/ie3035338

DO - 10.1021/ie3035338

M3 - Article

AN - SCOPUS:84875780944

SN - 0888-5885

VL - 52

SP - 4747

EP - 4757

JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

IS - 13

ER -

Experimental and theoretical investigations of consequence of ionic liquid anion on copper(I) catalyzed reaction of aryl iodide and thiols

Abstract

ASJC Scopus subject areas

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