A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Jääskeläinen, Sirpa; Koskinen, Laura; Haukka, Matti; Hirva, Pipsa

Lehti tai sarja: Solid State Sciences

ISSN: 1293-2558

eISSN: 1873-3085

Julkaisuvuosi: 2019

Volyymi: 97

Artikkelinumero: 105980

Kustantaja: Elsevier

Julkaisumaa: Alankomaat

Julkaisun kieli: englanti

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

Julkaisun avoin saatavuus: Ei avoin

Julkaisukanavan avoin saatavuus: 

Tiivistelmä

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.

YSO-asiasanat: organometalliyhdisteet; kompleksiyhdisteet; kulta; kupari; polymeerit

Vapaat asiasanat: gold; copper; benzothiazolethione; DFT; QTAIM

Liittyvät organisaatiot

OKM-raportointi: Kyllä

Raportointivuosi: 2019

JUFO-taso: 1