title: Synthesis of designed conductive one-dimensional coordination polymers of Ni(II) with 6-mercaptopurine and 6-thioguanine.
abstract: Calculations performed with the goal of designing suitable electrical conductive [M(6-MP)(2)](n) (M = transition metal, 6-MP = 6-mercaptopurinato) one-dimensional coordination polymers suggested that metal ions such as Ni(II) could provide suitable materials. In this work, direct hydrothermal reactions between 6-mercaptopurine (6-MPH) and the analogous 6-thioguanine (6-ThioGH) with NiSO(4).6H(2)O yield the compounds [Ni(6-MP)(2)](n).2nH(2)O [1] and [Ni(6-ThioG)(2)](n).2nH(2)O [2]. The X-ray structures confirm that both compounds present similar structures based on one-dimensional chains in which the deprotonated nucleobases act as the bridging ligands connecting the metal ions by short distances. Electrical measurements at room temperature confirm the conductor character of both coordination polymers. The small differences found in these measurements have been rationalized with the help of density functional theory calculations. Preliminary adsorption studies on surfaces for 1 have allowed characterization of single chains on mica and graphite. The results obtained suggest the potential use of coordination polymers on nanomaterials for molecular electronics.
authors.affiliation: Departamento de Química Inorgánica, Universidad Autónoma de Madrid, 28049 Madrid, Spain.
authors.forename: Pilar
authors.initials: P
authors.lastname: Amo-Ochoa
authors.forename: Oscar
authors.initials: O
authors.lastname: Castillo
authors.forename: Simone S
authors.initials: SS
authors.lastname: Alexandre
authors.forename: Lorena
authors.initials: L
authors.lastname: Welte
authors.forename: Pedro J
authors.initials: PJ
authors.lastname: de Pablo
authors.forename: Maria Isabel
authors.initials: MI
authors.lastname: Rodríguez-Tapiador
authors.forename: Julio
authors.initials: J
authors.lastname: Gómez-Herrero
authors.forename: Félix
authors.initials: F
authors.lastname: Zamora