Journal
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
Volume 417, Issue -, Pages 135-144Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molcata.2016.03.018
Keywords
Cyclic carbonates; Al(III) beta-aminoalcohol complexes; beta-aminoalcohol; Gaussian 09; Benzyl amine
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Funding
- CSIR
- CSIR New Delhi
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A series of Al(III) unsymmetrical beta-aminoalcohol based complexes 1-6 were synthesized via metalation of the corresponding ligands 1'-6' those were prepared by the reaction of benzylamine with readily available epoxides viz., styrene oxide, 1,2-epoxy-3-phenoxypropane, 4-tertbutylphenyl glycidyl ether, 4-chiorophenyl glycidyl ether, glycidyl 2-methylphenyl ether and 1,2-epoxyhexane. Among these complexes, the complex 2 was found to be most effective in the cycloaddition of aryloxy/aliphatic terminal epoxides with CO2 under atmospheric pressure to get corresponding cyclic carbonates with high conversion and selectivity (up to >99%) in the presence of tetrabutylammonium bromide as a co-catalyst. The DFT calculations revealed the important role played by counter-ion in the co-catalyst during cycloaddition reaction of CO2 with the substituted epoxides. (C) 2016 Elsevier B.V. All rights reserved.
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