Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O

Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond

Published:2021 Issue:38 Volume:23 Page:6724-6735
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Roy Sourav¹²,Sutradhar Dipankar²,Drew Michael G. B.³,Chattopadhyay Shouvik¹^ORCID

Affiliation:

1. Department of Chemistry, Inorganic Section, Jadavpur University, Kolkata 700 032, India

2. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India

3. School of Chemistry, The University of Reading, P.O. Box 224, Whiteknights, Reading RG6 6AD, UK

Abstract

Strong hydrogen bonding interactions are observed in a hydronium ion trapped nickel(ii) Schiff base complex. The energetics regarding these interactions which provide the stability to the supramolecular structure are analysed by DFT calculations.

Funder

University Grants Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CE/D1CE00855B

Reference57 articles.

1. Binucleating Ligands: Synthesis of Acyclic Achiral and Chiral Schiff Base−Pyridine and Schiff Base−Phosphine Ligands

2. Mittheilungen aus dem Universitätslaboratorium in Pisa: Eine neue Reihe organischer Basen

3. Developments in the synthesis and coordination chemistry of macrocyclic Schiff base ligands