• VIKASH DHINDHWAL

      Articles written in Journal of Chemical Sciences

    • The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations

      VIKASH DHINDHWAL N SATHYAMURTHY

      More Details Abstract Fulltext PDF

      The effect of hydration on cation-π interaction in Mq+ BmWn (B = benzene; W = water; Mq+ =Na⁺, K⁺, Mg²⁺, Ca²⁺, Al³⁺, 0 ≤ n,m ≤ 4, 1≤ m + n ≤ 4) complexes has been investigated using ab initio quantum chemical methods. Interaction energy values computed at the MP2 level of theory using the 6-31G(d,p) basis set reveal a qualitative trend in the relative affinity of different cations for benzene and water in these complexes. The π–cloud thickness values for benzene have also been estimated for these systems.

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