A monoclinic form of anhydrous Cs 2 PdCl 4

Danrui Ni, Shu Guo, Zoë S. Yang, Hsin Ya Kuo, F. Alex Cevallos, Robert Joseph Cava

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A previously unreported monoclinic form of Cs 2 PdCl 4 is described. It is found to transform into the reported orthorhombic form on exposure to atmospheric moisture. Infrared spectroscopy and TGA analysis of the previously reported orthorhombic form of Cs 2 PdCl 4 reveals that it is a hydrate with a formula of approximately Cs 2 PdCl 4 :4H 2 O. Water is not present in the monoclinic material. The compound is non-magnetic, which is attributed to a low spin configuration for 4 d 8 Pd 2+ in square planar coordination with Cl. The band gaps of the two forms are found to be 2.13 and 2.21 eV, consistent with their colors. A DFT-calculated electronic structure for the monoclinic form is presented.

Original languageEnglish (US)
Pages (from-to)118-123
Number of pages6
JournalSolid State Sciences
StatePublished - Jan 1 2019

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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