title: Macrocyclic complexes of palladium(II) with benzothiacrown ethers: synthesis, characterization, and structure of cis and trans isomers.
abstract: 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 S(2)PdY(2) fragment (Y = Cl, OAc). In the case of Pd(II) and benzodithia-21-crown-7 ethers, only complexes with a trans configuration of the S(2)PdY(2) 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.
authors.affiliation: Photochemistry Centre, Russian Academy of Sciences, ul. Novatorov 7a-1, Moscow 119421, Russian Federation.
authors.forename: Svetlana N
authors.initials: SN
authors.lastname: Dmitrieva
authors.forename: Natalia I
authors.initials: NI
authors.lastname: Sidorenko
authors.forename: Nikolay A
authors.initials: NA
authors.lastname: Kurchavov
authors.forename: Artem I
authors.initials: AI
authors.lastname: Vedernikov
authors.forename: Alexandra Ya
authors.initials: AY
authors.lastname: Freidzon
authors.forename: Lyudmila G
authors.initials: LG
authors.lastname: Kuz'mina
authors.forename: Aleksei K
authors.initials: AK
authors.lastname: Buryak
authors.forename: Tat'yana M
authors.initials: TM
authors.lastname: Buslaeva
authors.forename: Alexander A
authors.initials: AA
authors.lastname: Bagatur'yants
authors.forename: Yuri A
authors.initials: YA
authors.lastname: Strelenko
authors.forename: Judith A K
authors.initials: JA
authors.lastname: Howard
authors.forename: Sergey P
authors.initials: SP
authors.lastname: Gromov