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Issue 33, 2018
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Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups

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Abstract

Nine thiosemicarbazone ligands (H2Ln, n = 1–9) containing benzothiazole or benzoxazole groups at the C(2) atom of the thiosemicarbazone have been prepared and characterized. A crystal structure study was performed on six of these free ligands and the role of the π–π interactions in the molecular association was analyzed. The coordination behavior of the thiosemicarbazones towards the {Re(CO)3}+ fragment was investigated and three types of complexes were obtained: mononuclear fac-[ReX(H2Ln)(CO)3], X = Cl or Br, with bidentate ligands, dinuclear [Re2(HLn)2(CO)6] with monodeprotonated bridging thiosemicarbazonates yielding Re2S2 cores and tetranuclear [Re4(L2)2(CO)12(EtOH)2] with an unusual bideprotonated thiosemicarbazonate ligand. The intermolecular interactions before and after metal coordination were analyzed. In the dinuclear complexes, two different approximate symmetries were observed depending on the relative orientation of the thiosemicarbazonate ligands with respect to the Re2S2 diamond. The intramolecular interactions in the dimers and their relationship with the two possible symmetric dispositions were analyzed. The findings, in conjunction with theoretical calculations, allowed the main stabilizing factors for each type of symmetry to be elucidated.

Graphical abstract: Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups

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Supplementary files

Article information


Submitted
25 May 2018
Accepted
07 Jul 2018
First published
09 Jul 2018

CrystEngComm, 2018,20, 4781-4792
Article type
Paper

Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups

A. Pino-Cuevas, A. Graña, U. Abram, R. Carballo and E. M. Vázquez-López, CrystEngComm, 2018, 20, 4781
DOI: 10.1039/C8CE00874D

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