A1 Journal article (refereed)
Benzothiazolethione complexes of coinage metals : from mononuclear complexes to clusters and polymers (2019)

Jääskeläinen, Sirpa; Koskinen, Laura; Haukka, Matti; Hirva, Pipsa (2019). Benzothiazolethione complexes of coinage metals : from mononuclear complexes to clusters and polymers. Solid State Sciences, 97, 105980. DOI: 10.1016/j.solidstatesciences.2019.105980

JYU authors or editors

Publication details

All authors or editors: Jääskeläinen, Sirpa; Koskinen, Laura; Haukka, Matti; Hirva, Pipsa

Journal or series: Solid State Sciences

ISSN: 1293-2558

eISSN: 1873-3085

Publication year: 2019

Volume: 97

Article number: 105980

Publisher: Elsevier

Publication country: Netherlands

Publication language: English

DOI: https://doi.org/10.1016/j.solidstatesciences.2019.105980

Open Access: Publication channel is not openly available

Abstract

The reactions of 2(3H)-benzothiazolethione (Hbtt) with [AuCl(tetrahydrothiophene)] and CuBr2 were studied, and found to yield a tetranuclear cluster compound [Au(btt)]4 [1] and a polymeric structure [CuBr(btt-btt)]n.nTHF (2). Crystallographic and spectroscopic methods were used for the characterization. In 1, the monoanionic ligand acted as a bidentate bridging N,S-donor giving a molecular cluster structure of an asymmetric coordination isomer. In the formation of 2, the ligand was dimerized by forming a S–S bond after deprotonation, and coordination via nitrogen donors to metal atoms took place leading to a polymeric structure. To clarify the diversity of reactions of Hbtt with coinage metals, and to verify the experimental characterization, DFT studies were performed. The nature of the coordination of the Hbtt ligand was further investigated via topological charge density analysis by QTAIM methods.

Keywords: organometallic compounds; coordination complexes; gold; copper; polymers

Free keywords: gold; copper; benzothiazolethione; DFT; QTAIM

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1