title: Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases.
abstract: Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H2O)4]·4H2O (1), [Cu(TAcO)2(H2O)2]n (2), [Cu3(TAcO)4(H2O)2(OH)2]n·4H2O (3), and [Cu3(UPrO)2Cl2(OH)2(H2O)2]n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10(-6) and 10(-9) S/cm(-1). The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex 3, whereas a combination of strong and weak antiferromagnetic interactions have been found in complex 4. Quantum computational calculations have been done to estimate the individual "J" magnetic coupling constant for each superexchange pathway in complexes 3 and 4. Compounds 2-4 are the first known examples of semiconductor and magnetic coordination polymers containing nucleobases.
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: Carlos J
authors.initials: CJ
authors.lastname: Gómez-García
authors.forename: Khaled
authors.initials: K
authors.lastname: Hassanein
authors.forename: Sandeep
authors.initials: S
authors.lastname: Verma
authors.forename: Jitendra
authors.initials: J
authors.lastname: Kumar
authors.forename: Félix
authors.initials: F
authors.lastname: Zamora
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D008280:Magnetics; D008958:Models, Molecular; D015394:Molecular Structure; D009711:Nucleotides / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry*; D012666:Semiconductors
chemical_list: D056831:Coordination Complexes; D009711:Nucleotides; D011108:Polymers; D003300:Copper