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

Research output: Contribution to journalArticle

Abstract

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
Volume87
DOIs
StatePublished - Jan 1 2019

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atmospheric moisture
Hydrates
Discrete Fourier transforms
hydrates
Electronic structure
Infrared spectroscopy
Energy gap
Moisture
infrared spectroscopy
electronic structure
Color
color
Water
configurations
water

Cite this

Ni, Danrui ; Guo, Shu ; Yang, Zoë S. ; Kuo, Hsin Ya ; Cevallos, F. Alex ; Cava, Robert Joseph. / A monoclinic form of anhydrous Cs 2 PdCl 4. In: Solid State Sciences. 2019 ; Vol. 87. pp. 118-123.
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A monoclinic form of anhydrous Cs 2 PdCl 4. / Ni, Danrui; Guo, Shu; Yang, Zoë S.; Kuo, Hsin Ya; Cevallos, F. Alex; Cava, Robert Joseph.

In: Solid State Sciences, Vol. 87, 01.01.2019, p. 118-123.

Research output: Contribution to journalArticle

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AU - Ni, Danrui

AU - Guo, Shu

AU - Yang, Zoë S.

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AU - Cava, Robert Joseph

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AB - 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.

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