Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/12619
Title: Tuning the lability of a series of Ru(II) polypyridyl complexes: a comparison of experimental-kinetic and DFT-predicted reaction mechanisms
Authors: Ćoćić, Dušan
Chrzanowska M.
Katafias, Anna
Puchta, Ralph
van Eldik R.
Issue Date: 2021
Abstract: © 2021 Informa UK Limited, trading as Taylor & Francis Group. This report deals with a comparison of experimentally obtained kinetic and activation parameter data, and theoretical DFT computations, in terms of mechanistic information on the water exchange and water displacement reactions by thiourea for a series of complexes of the type [RuII(terpy)(N^N)(H2O)]2+, where terpy = 2,2′:6′,2″-terpyridine and N^N represents ethylenediamine (en), 2-(aminomethyl)pyridine (ampy), 2,2′-bipyridine (bipy), 1,10-phenantroline (phen), and N,N,N′,N′-tetramethylethylenediamine (tmen). The complexes were all isolated in the form of [Ru(terpy)(N^N)Cl]X (X = Cl– or ClO4–) compounds and fully characterized in both the solid state and in solution. The DFT calculations revealed further mechanistic insight into the water exchange reactions as well as the water displacement reactions by thiourea. Both the experimental activation parameters and the DFT calculations suggest the operation of an associative interchange (Ia) mechanism for both reaction types studied.
URI: https://scidar.kg.ac.rs/handle/123456789/12619
Type: article
DOI: 10.1080/00958972.2021.1874369
ISSN: 0095-8972
SCOPUS: 2-s2.0-85099695323
Appears in Collections:Faculty of Science, Kragujevac

Page views(s)

417

Downloads(s)

6

Files in This Item:
File Description SizeFormat 
PaperMissing.pdf
  Restricted Access
29.86 kBAdobe PDFThumbnail
View/Open


Items in SCIDAR are protected by copyright, with all rights reserved, unless otherwise indicated.