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Unusual co-ordination behaviour of imidazole-4-acetic acid. Synthesis, crystal structure and vibrational studies of one-dimensional co-ordination polymer of zinc(II) with two different ligand forms
Institution:1. Institute of Inorganic Chemistry and Metallurgy of Rare Elements, Wrocław University of Technology, Wybrzeze St. Wyspiańskiego 27, 50-370 Wrocław, Poland;2. Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland;1. Argonne National Laboratory, Argonne, IL 60439, USA;2. Los Alamos National Laboratory, Los Alamos, NM 87545, USA;1. Departamento Quimica Inorganica y Organica, Universidad Jaume I, Avda. Sos Baynat s/n, 12071 Castellón, Spain;2. Departamento de Ingeniería de Procesos Catalíticos, Instituto de Catálisis-CSIC, Campus UAM-CSIC, Madrid, Spain;3. Universidad de Murcia, Facultad de Química, Departamento de Bioquímica y Biología Molecular B e Inmunología, Campus de Espinardo, E-30100 Murcia, Spain;1. Instituto de Ciencia y Tecnología de Polímeros (ICTP-CSIC), Juan de la Cierva 3, 28006 Madrid, Spain;2. College of Materials Science and Engineering, Shenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, Nanshan District Key Laboratory for Biopolymers and Safety Evaluation, Shenzhen University, Shenzhen 518060, PR China;3. Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, PR China;4. Grupo de Investigación “POLímeros: Caracterización y Aplicaciones” (U. A. del ICTP-CSIC), E.T.S.I. Industriales, Universidad Politécnica de Madrid, José Gutiérrez Abascal 2, 28006 Madrid, Spain;1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991 Moscow, Russia;2. Lomonosov Moscow State University, Department of Physics, 119991 Moscow, Russia;3. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 58, 119333 Moscow, Russia;4. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, 119991 Moscow, Russia
Abstract:This work is devoted to structural and vibrational studies of novel 1D polymeric zinc(II) complex ZnCl(ia)(Hia)]·H2O (infinity) Hia=imidazole-4-acetic acid]. It has been found for the first time that the ia anion is acting as bidentate bridging ligand with N1 and carboxylate oxygen atoms as binding centres. The quasi-tetrahedral coordination polyhedron is completed by one chloride anion and monodentate Hia ligand bonded with zinc(II) cation via carboxylate oxygen atom. The compound crystallise in the triclinic P space group with Z=2. The polymer chains are held together by hydrogen bonding network involving the N---H and carboxylate groups, chloride ions and water molecules. The differences between normal vibrations of two ligand forms present in the complex are discussed on the basis of the density functional calculations (DFT) performed for natural and N-deuterated isotopomers. The assignment of the observed MIR and Raman bands is given in terms of potential energy distribution (PED).
Keywords:Imidazole-4-acetic acid  Polymeric zinc(II) complexes  Crystal structures  Vibrational spectra  Density functional calculations
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