A1 Journal article (refereed)
Benzothiazolethione complexes of coinage metals : from mononuclear complexes to clusters and polymers (2019)
Jääskeläinen, S., Koskinen, L., Haukka, M., & Hirva, P. (2019). Benzothiazolethione complexes of coinage metals : from mononuclear complexes to clusters and polymers. Solid State Sciences, 97, Article 105980. https://doi.org/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
Publication open access: Not open
Publication channel open access:
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
