Macrocyclic Complexes of Palladium(II) with Benzothiacrown Ethers: Synthesis, Characterization, and Structure of cis and trans Isomers

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• 作者：Svetlana N. Dmitrieva ; Natalia I. Sidorenko ; Nikolay A. Kurchavov ; Artem I. Vedernikov ; Alexandra Ya. Freidzon ; Lyudmila G. Kuz鈥檓ina ; Aleksei K. Buryak ; Tat鈥檡ana M. Buslaeva ; Alexander A. Bagatur鈥檡ants ; Yuri A. Strelenko ; Judith A. K. Howard ; Sergey P. Gromov
• 刊名：Inorganic Chemistry
• 出版年：2011
• 出版时间：August 15, 2011
• 年：2011
• 卷：50
• 期：16
• 页码：7500-7510
• 全文大小：1177K
• 年卷期：v.50,no.16(August 15, 2011)
• ISSN：1520-510X

文摘

A series of palladium(II) complexes with nitro- and formylbenzothiacrown-ether derivatives was synthesized. The spatial structure of the complexes was studied by NMR, X-ray diffraction analysis, and quantum chemical calculations (density functional theory). The cavity size and the ligand denticity were found to be crucial factors determining the geometric configuration of the thiacrown-ether complexes. Palladium(II) complexes with benzodithia-12(18)-crown-4(6) ethers were demonstrated to have a cis-configured S₂PdY₂ fragment (Y = Cl, OAc). In the case of Pd(II) and benzodithia-21-crown-7 ethers, only complexes with a trans configuration of the S₂PdY₂ fragment form. In the case of Pd(II) and nitrobenzomonothia-15-crown-5 ether, only 2(ligand):1(Pd) complex with trans configuration of the core fragment forms.