Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases

Inorg Chem. 2013 Oct 7;52(19):11428-37. doi: 10.1021/ic401758w. Epub 2013 Sep 16.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Coordination Complexes / chemistry*
  • Copper / chemistry*
  • Magnetics*
  • Models, Molecular
  • Molecular Structure
  • Nucleotides / chemistry*
  • Polymers / chemistry*
  • Semiconductors*

Substances

  • Coordination Complexes
  • Nucleotides
  • Polymers
  • Copper