Cobalt (II) phthalocyanine (CoPc) molecules have been encapsulated within the supercage of zeolite-Y. The square-planar complex, being larger than the almost spherical cage, is forced to adopt a distorted geometry on ...
The recently proposed local hard−soft acid−base principle characterizes the reactive centers of two systems on the basis of equal Fukui functions or/and equal local softnesses. We make a quantum chemical study of this ...
Lewis acidity of alkali cation-exchanged zeolite is studied using local reactivity descriptors based on hard-soft acid–base (HSAB) concept. The local softness for nucleophilic attack (sx+), local softness for electrophilic ...
Planar palladium–Schiff base complexes are synthesized, maintaining the order of their molecular dimensions as PdL1 < PdL2 < PdL3 < PdL4 < PdL5 in free state, as well as encapsulated in zeolite Y, where L1: N,N′-bis(sali ...