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Inorganica Chimica Acta

Inorganica Chimica Acta

IF: 2.7
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Synthesis and characterization of a palladium(0) complex with cyclophosphazene bearing two diphenylphosphine ligands and application in Suzuki-Miyaura cross-coupling

Published:1 October 2018 DOI: 10.1016/j.ica.2018.05.016
Maria das G. de O. e Silva , Carolina Galuppo , Bárbara C. Tudisco , Arnaldo G. de Oliveira Junior , Manoel V.F. Barrionuevo , Camilla Abbehausen , Regina Buffon

Abstract

This paper describes the synthesis of a cyclophosphazene-based diphenylphosphine ligand and a new Pd(0) complex. Infrared spectroscopy (ATR-IR), ESI+-MS, 31P, 1H and 13C NMR, Raman, WD-XRF, ICP-OES and TGA analysis show the coordination of two palladium atoms per unit of cyclophosphazene. A semiempirical calculation method was employed to find the lowest energy structure among the possible ones and Density Functional Theory (DFT) was used to optimize the found structure and obtain its bond angles, dihedral angles, bond lengths, atomic distances, and to calculate the vibrational spectrum (PBE/def2-TZVP(-f)). The new Pd complex showed activity in Suzuki-Miyaura cross-coupling reactions with halobenzenes and phenylboronic acid, tolerating different functional groups.

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Procduct Name CAS Molecular Formula Supplier Price
Phenylboronic acid 98-80-6 C6H7BO2 892 suppliers $4.00-$1786.10
Diphenylphosphine 829-85-6 C12H11P 341 suppliers $33.00-$1580.00
BIS(3 5 3' 5'-DIMETHOXYDIBENZYLIDENEACE& 811862-77-8 2C21H22O5.Pd 114 suppliers $19.00-$1134.53
PALLADIUM ON STRONTIUM CARBONATE, REDUCED C2H2O6PdSr 104 suppliers $36.40-$2500.00
Suzuki-Miyaura Coupling in a Box 2 suppliers Inquiry
Cyclophosphazene 1 suppliers Inquiry

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