A monoclinic form of anhydrous Cs2PdCl4

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

doi:10.1016/j.solidstatesciences.2018.11.012

A monoclinic form of anhydrous Cs₂PdCl₄

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

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

A previously unreported monoclinic form of Cs₂PdCl₄ 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 Cs₂PdCl₄ reveals that it is a hydrate with a formula of approximately Cs₂PdCl₄:4H₂O. Water is not present in the monoclinic material. The compound is non-magnetic, which is attributed to a low spin configuration for 4 d⁸ Pd²⁺ 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 language	English (US)
Pages (from-to)	118-123
Number of pages	6
Journal	Solid State Sciences
Volume	87
DOIs	https://doi.org/10.1016/j.solidstatesciences.2018.11.012
State	Published - Jan 2019

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics

Keywords

Chloride
Dicesiumtetrachloropalladate(II)
Phase transition
Single crystal X-ray diffraction
Solid state reaction

Access to Document

10.1016/j.solidstatesciences.2018.11.012

Cite this

@article{3a227ca194da422baf1c3a5789f5eaba,

title = "A monoclinic form of anhydrous Cs2PdCl4 ",

abstract = "A previously unreported monoclinic form of Cs2PdCl4 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 Cs2PdCl4 reveals that it is a hydrate with a formula of approximately Cs2PdCl4:4H2O. Water is not present in the monoclinic material. The compound is non-magnetic, which is attributed to a low spin configuration for 4 d8 Pd2+ 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.",

keywords = "Chloride, Dicesiumtetrachloropalladate(II), Phase transition, Single crystal X-ray diffraction, Solid state reaction",

author = "Danrui Ni and Shu Guo and Yang, {Zo{\"e} S.} and Kuo, {Hsin Ya} and Cevallos, {F. Alex} and Cava, {Robert J.}",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier Masson SAS",

year = "2019",

month = jan,

doi = "10.1016/j.solidstatesciences.2018.11.012",

language = "English (US)",

volume = "87",

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journal = "Solid State Sciences",

issn = "1293-2558",

publisher = "Elsevier Masson SAS",

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T1 - A monoclinic form of anhydrous Cs2PdCl4

AU - Ni, Danrui

AU - Guo, Shu

AU - Yang, Zoë S.

AU - Kuo, Hsin Ya

AU - Cevallos, F. Alex

AU - Cava, Robert J.

PY - 2019/1

Y1 - 2019/1

N2 - A previously unreported monoclinic form of Cs2PdCl4 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 Cs2PdCl4 reveals that it is a hydrate with a formula of approximately Cs2PdCl4:4H2O. Water is not present in the monoclinic material. The compound is non-magnetic, which is attributed to a low spin configuration for 4 d8 Pd2+ 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.

AB - A previously unreported monoclinic form of Cs2PdCl4 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 Cs2PdCl4 reveals that it is a hydrate with a formula of approximately Cs2PdCl4:4H2O. Water is not present in the monoclinic material. The compound is non-magnetic, which is attributed to a low spin configuration for 4 d8 Pd2+ 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.

KW - Chloride

KW - Dicesiumtetrachloropalladate(II)

KW - Phase transition

KW - Single crystal X-ray diffraction

KW - Solid state reaction

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