Synthesis, crystal structures, Hirshfeld surface analysis and physico-chemical characterization of two new Zn-II and Cd-II halidometallates

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Rayes A., Moncer M., Ara I., DEGE N., Ayed B.

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, vol.32, no.8, pp.10890-10905, 2021 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 32 Issue: 8
  • Publication Date: 2021
  • Doi Number: 10.1007/s10854-021-05747-3
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aerospace Database, Applied Science & Technology Source, Chemical Abstracts Core, Communication Abstracts, Compendex, Computer & Applied Sciences, INSPEC, Metadex, Civil Engineering Abstracts
  • Page Numbers: pp.10890-10905
  • Ondokuz Mayıs University Affiliated: Yes


Two new organic-inorganic hybrid materials, based on 1,3-CycloHexaneBis-(Methyl Amine), abbreviated CHBMA, namely (H(2)CHBMA)ZnCl4 center dot 2H(2)O (CP1) and (H(2)CHBMA)CdI4 center dot 2H(2)O (CP2), have been synthesized under mild conditions in acidic media and characterized by single-crystal X-ray diffraction, spectroscopic techniques (C-13 NMR, FTIR, RAMAN) and thermal analysis. The crystal structures of the two compounds were solved by single-crystal X-ray diffraction methods. Both compounds show a 3-dimensional supramolecular structure directed by various interactions between tetrahalidometallate anions (ZnCl42-, CdI42-), water molecule and organic cations (H(2)CHBMA)(2+). For both compounds, the cyclohexane ring of the template cation is in a chair conformation with the methylammonium substituent in the equatorial positions and the two terminal ammonium groups in a cis conformation but with two different orientations (upward for CP1 and downward for CP2) which influences the supramolecular architecture of the two structures. Hirshfeld surface analysis and the associated two-dimensional finger print plots were used to explore and quantify the intermolecular interactions in the crystals.