Synthesis, coordination properties and DFT studies of novel trans-disubstituted hexaaza-macrocycles containing pyridine and/or ethyldioxolane arms. Issue 19 (2nd October 2018)

• Record Type: Journal Article
• Authors: Lamelas, Rodrigo; Lucio, Fátima; Labisbal, Elena; Macías, Alejandro; Pereira, M. Teresa; Bastida, Rufina; Vila, José M.; Núñez, Cristina
• Is Part Of: Journal of coordination chemistry. Volume 71:Issue 19(2018)
• Page Start: 3099
• Page End: 3116
• Publication Date: 2018-10-02
• Subjects: Hexaazamacrocycle -- disubstitution -- pyridine -- ethyldioxolane; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2018.1511780
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: Novel trans -disubstituted hexaaza-macrocyclic ligands L 1 and L 2 were successfully prepared by the alkylation of the trans secondary amines presented in L with pyridine and ethyldioxolane groups, respectively. The coordination properties of compounds L 1 and L 2 towards different transition, post-transition and lanthanoid metal ions were explored. Colorless crystals of [NaL 1 ]I and L 2´ Br2, suitable for X-ray diffraction, were obtained by slow evaporation of an acetonitrile solution of compounds L 1 or L 2, showing an anti conformation between the methyl groups and the pendant arms in trans positions. The [ML 1 ] n+ (M = Ni 2+, Cu 2+, Zn 2+ ) systems were investigated by DFT calculations (B3LYP model). Abstract :