title: Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.
abstract: Dinuclear copper complexes containing hexaazacyclophane macrocyclic ligands react with the disodium salt of terephthalic acid resulting in the self-assembly of rectangular molecules with the general formula [(Cu2L)2(p-(O2CC6H4CO2)2)]X4, where X = CF3SO3 and ClO4 (3X4, L = Me2p and 4X4, L = Me2m). Tetranuclear complexes 3(CF3SO3)4 (as polymorphs 3a and 3b) and 4(ClO4)4 have been characterized by single-crystal X-ray diffraction analysis providing definitive proof of their structure as well as their metrical parameters. 3a contains, in its unit cell, two isomeric cationic units (3asyn and 3aanti) that differ in the relative position of the two O carboxylate atoms which bind to the Cu atoms of the different macrocyclic complexes, leading to boxes with different metrical parameters. ESI-MS analyses of solutions of the tetranuclear complexes 3(CF3SO3)4 and 4(CF3SO3)4 exhibit cluster ions which match the solid state formulation, thus demonstrating that the cages are retained in solution.
authors.affiliation: Departament de Química, Universitat de Girona, Campus de Montilivi, E-17071 Girona, Spain.
authors.forename: Anna
authors.initials: A
authors.lastname: Company
authors.forename: Laura
authors.initials: L
authors.lastname: Gómez
authors.forename: Josep Maria
authors.initials: JM
authors.lastname: López Valbuena
authors.forename: Ruben
authors.initials: R
authors.lastname: Mas-Ballesté
authors.forename: Jordi
authors.initials: J
authors.lastname: Benet-Buchholz
authors.forename: Antoni
authors.initials: A
authors.lastname: Llobet
authors.forename: Miquel
authors.initials: M
authors.lastname: Costas
mesh_terms: D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006571:Heterocyclic Compounds / Q000737:chemistry*; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D006571:Heterocyclic Compounds; D008024:Ligands; D009942:Organometallic Compounds; D003300:Copper