A New Organic–Inorganic Hybrid Compound: Synthesis, crystal structure, Hirshfeld surface analysis, vibrational, optical, magnetic properties and theoretical study

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Abstract

Renewable technologies represent a solution to reduce the energy demand and dependency on fossil fuels. Here, attention is focused on organic inorganic hybrids used in photovoltaic. The present work is the investigation of a new organic–inorganic hybrid C4H10Cl3NO2Sn that crystallizes in a monoclinic system with C2/c space group and unit cell parameters (a = 32.071(5) Å, b = 5.827(5) Å, c = 11.596(5) Å, β = 94.858(5) °, and Z = 4) at room temperature. The crystal structure exploration reveal the stabilization of the crystal packing is carried out by a complex network of hydrogen interactions that lead formation of layered organic- inorganic hybrid stacked along the a-axis. The intermolecular interactions were elucidated by Hirchfeld surface analysis and fingerprint plots. The vibration modes were probed by Micro-Raman spectroscopy. Also, the vibrating sample magnetometer (VSM) measurement shows the ferromagnetism aspect of the compound as well as the energy gap was estimated from UV–visible absorption spectroscopy.

Original languageEnglish
Article number115717
JournalPolyhedron
Volume217
DOIs
StatePublished - 1 May 2022

Keywords

  • DFT
  • Hirshfeld surface
  • Organic- inorganic hybrid
  • Raman spectroscopy
  • VSM
  • XRD

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