Skip to content

Research at St Andrews

The coordination of a multidentate NxOy-donor (x and y ≤ 2) oxazolidine-based ligand with Cd(II) and Hg(II); structural, spectral, and theoretical studies

Research output: Contribution to journalArticle

Author(s)

Zahra Mardani, Vali Golsanamlou, Saba Khodavandegar, Keyvan Moeini, Alexandra M. Z. Slawin, J. Derek Woollins

School/Research organisations

Abstract

Two binuclear complexes, fac-[Cd2(AEPC)2(μ-Cl)2Cl2] (1) and [Hg2(AEPC)2(μ-Cl)2Cl2] (2), of 2-(2-(pyridin-2-yl)oxazolidin-3-yl)ethanol (AEPC) were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopies, and single-crystal X-ray diffraction. All coordination modes of 2-(pyridin-2-yl)oxazolidine derivatives were studied by analysis of the Cambridge Structural Database (CSD) for determination of coordination behaviors of the AEPC ligand with metals. In the crystal structure of 1, the cadmium ion has a distorted octahedral geometry and CdN2OCl3 environment in which each ligand acts as an NN′O-donor. In the crystal structure of 2, the AEPC acts as NN′-donor toward the mercury ion to form a square-pyramidal geometry with three chloride ions. Each complex contains four chiral centers with a center of inversion and Ci symmetry. In the crystal networks of the complexes, the alcohol groups of the ligands participate in hydrogen bonding and form R44(28) and R66(44) hydrogen bond motifs (observed for 1). In addition to the hydrogen bonds, the crystal network is stabilized by π—π stacking interactions between pyridine rings of the AEPC ligands of adjacent complexes. The thermodynamic stability of the isolated complexes and their charge distribution patterns were studied by DFT and NBO analysis.
Close

Details

Original languageEnglish
Pages (from-to)120-134
Number of pages15
JournalJournal of Coordination Chemistry
Volume71
Issue number1
Early online date23 Jan 2018
DOIs
Publication statusE-pub ahead of print - 23 Jan 2018

    Research areas

  • Oxazolidine, Cadmium, Mercury, DFT calculations, Binuclear complex, Chiral center, Fac isomer

Discover related content
Find related publications, people, projects and more using interactive charts.

View graph of relations

Related by author

  1. Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts

    Semenov, N. A., Radiush, E. A., Chulanova, E. A., Slawin, A. M. Z., Woollins, J. D., Kadilenko, E. M., Bagryanskaya, I. Y., Irtegova, I. G., Bogomyakov, A. S., Shundrin, L. A., Gritsan, N. P. & Zibarev, A., 7 Nov 2019, In : New Journal of Chemistry. 43, 41, p. 16331-16337 7 p.

    Research output: Contribution to journalArticle

  2. Macrocyclic copper(II) complexes containing diazacyclam-based ligand: spectral, structural and docking studies

    Mardani, Z., Moeini, K., Darroudi, M., Carpenter-Warren, C., Slawin, A. M. Z. & Woollins, J. D., 6 Nov 2019, In : Journal of Coordination Chemistry. 72, 18, p. 3030-3045 16 p.

    Research output: Contribution to journalArticle

  3. A novel ligand transfer reaction: transferring an N-3-donor amine ligand from Ni(II) to Cu(II)-structural, spectral, theoretical, and docking studies

    Mardani, Z., Dorjani, S., Moeini, K., Darroudi, M., Carpenter-Warren, C., Slawin, A. M. Z. & Woollins, J. D., 1 Sep 2019, In : Journal of Chemical Research. 43, 9-10, p. 330-339 10 p.

    Research output: Contribution to journalArticle

  4. 2D-coordination polymer containing lead(II) in a hemidirected PbO4S3 environment formed by molecular breaking of the 1,3-oxathiolane ligand

    Mardani, Z., Akbari, S., Moeini, K., Darroudi, M., Carpenter-Warren, C., Slawin, A. M. Z. & Woollins, J. D., 27 Aug 2019, In : Zeitschrift für Naturforschung B - A Journal of Chemical Sciences. 74, 7-8, p. 547-551 5 p.

    Research output: Contribution to journalArticle

Related by journal

  1. Macrocyclic copper(II) complexes containing diazacyclam-based ligand: spectral, structural and docking studies

    Mardani, Z., Moeini, K., Darroudi, M., Carpenter-Warren, C., Slawin, A. M. Z. & Woollins, J. D., 6 Nov 2019, In : Journal of Coordination Chemistry. 72, 18, p. 3030-3045 16 p.

    Research output: Contribution to journalArticle

  2. Structural conversion of an oxazolidine ligand upon treatment with copper(I) and (II) halides; structural, spectral, theoretical and docking studies

    Mardani, Z., Golsanamlou, V., Jabbarzadeh, Z., Moeini, K., Khodavandegar, S., Carpenter-Warren, C., Slawin, A. M. Z. & Woollins, J. D., 8 Dec 2018, In : Journal of Coordination Chemistry. Latest Articles, 23 p.

    Research output: Contribution to journalArticle

  3. Synthesis, characterization, structures, and DFT study of zinc(II) complexes with tributylphosphine chalcogenides

    Gouid, Z., Sanhoury, M. A. K., Said, R. B., Carpenter-Warren, C. L., Slawin, A. M. Z., Dhia, M. T. B., Woollins, J. D. & Boughdiri, S., 22 Dec 2017, In : Journal of Coordination Chemistry. 70, 23, p. 3859-3870 21 p.

    Research output: Contribution to journalArticle

  4. Synthesis and characterization of green-to-yellow emissive Ir(III) complexes of pyridylbenzothiadiazine ligand

    Pal, A. K., Cordes, D. B., Pringouri, K., Anwar, M., Slawin, A. M. Z., Rawson, J. & Zysman-Colman, E., 2016, In : Journal of Coordination Chemistry. 69, 11-13, p. 1924-1937 14 p.

    Research output: Contribution to journalArticle

ID: 252135754

Top