Issue 8, 2015

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

Abstract

It is observed that for a square planar Ni(II)-Schiff base complex of the general formula {Ni(II)L}, where L is {L: N,N′-bis(5-hydroxy-salicylidene)ethylenediamine}, when encapsulated in a supercage of zeolite Y the bulky guest complex adopts a non-planar geometry without disturbing the integrity of the zeolite framework. Detailed comparative characterization is carried out to understand the structural change of the guest complex as a result of steric and electronic interactions with the host framework. UV-Vis spectroscopic studies of the encapsulated and ‘neat’ complex show a significant blue shift in the d–d transition after encapsulation and the diamagnetic ‘neat’ complex exhibits paramagnetism after encapsulation. DFT studies of the Ni(II)-Schiff base complex have been carried out for different spin states in neat and encapsulated form and the UV-Vis spectra are simulated using TD-DFT to understand the observed spectra in detail.

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

Supplementary files

Article information

Article type
Paper
Submitted
19 Nov 2014
Accepted
26 Dec 2014
First published
07 Jan 2015

Dalton Trans., 2015,44, 3753-3763

Author version available

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

A. Choudhary, B. Das and S. Ray, Dalton Trans., 2015, 44, 3753 DOI: 10.1039/C4DT03554B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements