Co-crystal structures and Hirshfeld surface analysis of mesitylene and/or p-xylene solvated pseudopolymorphs of fully fluorinated Pd(II) complex

Yoshinori Ikumura, Yusuke Habuka, Akiko Hori

Research output: Contribution to journalArticlepeer-review

Abstract

The fully fluorinated complex, Pd(L)2, comprised of one Pd2+ ion and two ligands, namely bis(pentafluorobenzoyl)methanido (L), was well crystallized with mesitylene (C9H12) and p-xylene (C8H10) as guest molecules to form unique co-crystals, Pd(L)2·2C9H12 and Pd(L)2·2C8H10, respectively, using a chloroform or ethyl acetate solution. In the crystals, the π-planes of the guest molecules closely interacted with the pentafluorophenyl groups of the complex through an π···π-hole interaction. By the combination of two guest molecules, a new crystal, Pd(L)2·2C9H12·C8H10, was obtained and two mesitylene and one p-xylene molecules are quantitatively inserted into the crystal without any structural disorder, showing the good affinity of the guest molecules and the flexible shape changes of the complex.

Original languageEnglish
Article number115035
JournalPolyhedron
Volume197
DOIs
Publication statusPublished - 2021 Mar 15

Keywords

  • Crystal Engineering
  • Electrostatic interaction
  • Fluorinated ligands
  • Palladium
  • Supramolecular association

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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