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    • Keywords


      Inorganic tetramer clusters; aromaticity; density functional theory

    • Abstract


      Ground state geometry and electronic structure of M42- cluster (M = B, Al, Ga) have been investigated to evaluate their aromatic properties. The calculations are performed by employing the Density Functional Theory (DFT) method. It is found that all these three clusters adopt square planar configuration. Results reveal that square planar M42- dianion exhibits characteristics of multifold aromaticity with two delocalised π-electrons. In spite of the unstable nature of these dianionic clusters in the gas phase, their interaction with the sodium atoms forms very stable dipyramidal M4Na2 complexes while maintaining their square planar structure and aromaticity.

    • Author Affiliations


      Sandeep Nigam1 Chiranjib Majumder1 S K Kulshreshtha1

      1. Chemistry Division, Bhabha Atomic Research Centre, Mumbai - 400 085
    • Dates

  • Journal of Chemical Sciences | News

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