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Indian Academy of Sciences, Journal of Chemical Sciences, 6(127), p. 1057-1065, 2015

DOI: 10.1007/s12039-015-0870-6

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N, N'-Olefin Functionalized Bis-Imidazolium Pd(II) Chloride N-Heterocyclic Carbene Complex builds a supramolecular framework and shows catalytic efficacy for 'C-C' coupling reactions

Journal article published in 2015 by Gourisankar Roymahapatra ORCID, Tapastaru Samanta, Saikat Kumar Seth ORCID, Ambikesh Mahapatra, Shyamal Kumar Chattopadhyay ORCID, Joydev Dinda
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

3,3'-(p-phenylenedimethylene)bis{1-(2-methylallyl)}imidazolium bromide 1 and its Palladium(II) N-heterocyclic carbene (NHC) complex 3 have been synthesized and characterized by several spectroscopic techniques and finally the solid state structure of 3 has been determined by single crystal X-ray diffraction studies. The Pd(II) complex possesses ring head to tail Π–Π stacking interactions (3.767 A˚) through imidazole rings. Complex 3 catalyzes Suzuki-Miyaura ‘C-C’ coupling reaction. DFT calculations have been performed to know HOMO/LUMO orbitals energy and hence the stability and reactivity of Pd(II) complex (3) in syn and anti-configuration.