Transition metal complexes enslaved in the supercages of zeolite-Y: DFT investigation and catalytic significance

Encapsulation of a Ni salen complex in zeolite Y: an experimental and DFT study

“…Encapsulation provides a fascinating way of coupling the reactivity of the metal complex with the robustness and stereochemistry of the host zeolite framework, 1-3 which is nothing but an alternative route for the heterogenization of an otherwise homogeneous catalyst, with additional advantages like shape selectivity, site isolation, easy separation, resistivity at higher temperatures and better reactivity. [4][5][6][7][8] These hybrid catalysts have a wide range of applications in gas purification, catalysis and biomimetic chemistry. [9][10][11] A fascinating subgroup of such encapsulated complexes is "ship-in-a-bottle" complexes, where building blocks of the complex are assembled together in the cavity of the porous solid and once synthesized, due to its size, the complex cannot 'leak out' through the pores without destruction of the framework.…”

Enantioselective Henry Reaction Catalyzed by “Ship in a Bottle” Complexes

“…Zeolite-encapsulated transition-metal and organometallic complexes have now emerged as some of the potent competitors for their homogeneous counterpart, in terms of catalytic behavior and stability. − The walls of the zeolite framework impart a constrained environment to the encapsulated, so-called “ship in a bottle”, complexes. , The boundary or space constraint imposed by the zeolite walls changes the structural and electronic behavior of the encapsulated complexes in comparison to their homogeneous analogue. , These changes further influence their catalytic activities and, consequently, have fueled researchers to design more and more heterogeneous catalysts. In turn, this has resulted in a wide area of catalysis called “heterogenization of homogeneous catalyst”. , There are several reports in which zeolite-encapsulated complexes have been found to exhibit better catalytic activity, high turnover number, and high thermal stability in comparison to their homogeneous counterpart. − Besides having the advantage of these hybrid materials in catalysis, zeolite-encapsulated complexes have been currently studied to mimic the biosystem and hence are also named zeozymes …”

DFT stimulation and experimental insights of chiral Cu(ii)–salen scaffold within the pocket of MWW-zeolite and its catalytic study

“…The final product was filtered, thoroughly washed with hot distilled water to remove any unreacted metal ions, and then dried for 15 h at 120 1C. 45,46 FTIR (KBr): 3443, 1631, 1241, 1091, 811, 603, 558 and 452 cm À1 ; BET results: 291.36 m 2 g À1 , surface area; 3.9 nm, average pore diameter; 0.50 cm 3 g À1 , pore volume.…”