Pd(II)-N-heterocyclic carbene complexes of 2,6-bis{N-methyl-(imidazolium/benzimidazolium)}pyrazinechloride: Synthesis, structure, catalysis and theoretical studies

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• 作者：Gourisankar Roymahapatra^a ; Santanab Giri^b ; Anders A. Danopoulos^c ; Pratim Kumar Chattaraj^b ; Ambikesh Mahapatra^d ; Valerio Bertolasi^e ; Joydev Dinda^a ; ^{dindajoy@yahoo.com}
• 关键词：Pincer ligands ; N-Heterocyclic carbene (NHC) ; Pd&ndash ; NHC ; Suzuki coupling reaction ; DFT
• 刊名：Inorganica Chimica Acta
• 出版年：2012
• 出版时间：30 March, 2012
• 年：2012
• 卷：383
• 期：Complete
• 页码：83-90
• 全文大小：809 K

文摘

The multitopic pyrazine functionalized pro-ligand 2,6-bis(N-methylimidazolium)pyrazinedichloride, L-1; 2,6-bis(N-methylbenzimidazolium)pyrazinedichloride, L-2 and their respective Pd(II)-NHC complexes 1 and 2 have been synthesised and characterized by different spectroscopic methods and have been analyzed within a conceptual DFT framework. Single crystal X-ray structures of (L-1)PF₆ and complex 1 have been determined. X-ray structure revels that 1 form a 12 member palladacycle. Both complex 1 and 2, catalyse the Suzuki coupling reaction very well and from experimental and theoretical findings it is concluded that complex 1 is slightly catalytically more active than 2.