A monoclinic form of anhydrous Cs2PdCl4

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 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.

LanguageEnglish (US)
Pages118-123
Number of pages6
JournalSolid State Sciences
Volume87
DOIs
StatePublished - Jan 1 2019

Fingerprint

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 Cs2PdCl4. In: Solid State Sciences. 2019 ; Vol. 87. pp. 118-123.
@article{1afb7ed27f724f13a84776925e8b9f5d,
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.",
author = "Danrui Ni and Shu Guo and Yang, {Zo{\"e} S.} and Kuo, {Hsin Ya} and Cevallos, {F. Alex} and Cava, {Robert Joseph}",
year = "2019",
month = "1",
day = "1",
doi = "https://doi.org/10.1016/j.solidstatesciences.2018.11.012",
language = "English (US)",
volume = "87",
pages = "118--123",
journal = "Solid State Sciences",
issn = "1293-2558",
publisher = "Elsevier Masson SAS",

}

A monoclinic form of anhydrous Cs2PdCl4. / 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

TY - JOUR

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 Joseph

PY - 2019/1/1

Y1 - 2019/1/1

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.

UR - http://www.scopus.com/inward/record.url?scp=85059336824&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85059336824&partnerID=8YFLogxK

U2 - https://doi.org/10.1016/j.solidstatesciences.2018.11.012

DO - https://doi.org/10.1016/j.solidstatesciences.2018.11.012

M3 - Article

VL - 87

SP - 118

EP - 123

JO - Solid State Sciences

T2 - Solid State Sciences

JF - Solid State Sciences

SN - 1293-2558

ER -