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      https://www.ias.ac.in/article/fulltext/jcsc/127/06/1057-1065

    • Keywords

       

      N-heterocyclic carbene (NHC); Pd(II)–NHC complex; supramolecular framework; catalysis; DFT

    • Abstract

       

      The ligand 3,3′-(𝑝-phenylenedimethylene)bis{1-(2-methylallyl)} imidazolium bromide (1) and its Palladium(II) N-heterocyclic carbene (NHC) complex (3) has been synthesized and characterized by several spectroscopic techniques and 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$^{\circ}$) through imidazole rings. Complex 3 catalyzes Suzuki-Miyaura `C–C' coupling reaction. DFT calculations have been used to understand the HOMO/LUMO energy and hence the stability and reactivity of Pd(II) complex in syn and anti-configuration.

    • Author Affiliations

       

      Gourisankar Roymahapatra1 2 3 Tapastaru Samanta3 4 Saikat Kumar Seth5 Ambikesh Mahapatra2 Shyamal Kumar Chattopadhyay4 Joydev Dinda3 6

      1. Department of Basic Science and Humanities, Global Institute of Science and Technology, Haldia 721657, India
      2. Department of Chemistry, Jadavpur University, Kolkata 700 032, India
      3. School of Applied Sciences, Haldia Institute of Technology, Haldia 721 657, India
      4. Department of Chemistry, Indian Institute of Engineering Science and Technology, Howrah 711 103, India
      5. Department of Physics, Mugberia Gangadhar Mahavidyalaya, Purba Medinipur 721 425, India
      6. Department of Chemistry, ITM University, Turari Campus, Gwalior 474 001, India
    • Dates

       
    • Supplementary Material

       
  • Journal of Chemical Sciences | News

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