title: Insights into the new Th (IV) sulfate fluoride complex: Synthesis, crystal structures, and temperature dependent spectroscopic properties.
abstract: Under hydrothermal condition, the decomposition of methanesulfonic acid to sulfate anion is observed, resulting in the formation of a novel thorium sulfate fluoride compound ThF2(SO4)(H2O) (1). This complex is structurally characterized by single crystal X-ray diffraction, revealing a three-dimensional structure crystallized in the monoclinic space-group P21/n, where thorium cation is nine coordinated by four SO4(2-) oxygen atoms, four bridging F(-), and one H2O molecule. The crystal lattice parameters are a=6.9065(7) Å, b=6.9256(7) Å, c=10.5892(11) Å, β=96.755(2)°, V=502.98(9) Å(3), Z=4. The temperature dependent UV-Vis-NIR absorption spectra and fluorescence spectra were collected from 77K to 300 K, where the intensities of the peaks varied as a function of temperature. The Raman vibrational spectrum of the samples collected from 100 to 2000 cm(-1) shows identical SO4(2-) vibration modes.
authors.affiliation: School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an 710062, China.
authors.forename: Yanyan
authors.initials: Y
authors.lastname: Zhao
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Jiangsu 215123, China; Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Jiangsu 215123, China.
authors.forename: Chunxiang
authors.initials: C
authors.lastname: Wang
authors.affiliation: Department of Chemistry & Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Su
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Jiangsu 215123, China; Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Jiangsu 215123, China.
authors.forename: Yaxing
authors.initials: Y
authors.lastname: Wang
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Jiangsu 215123, China; Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Jiangsu 215123, China.
authors.forename: Yanlong
authors.initials: Y
authors.lastname: Wang
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Jiangsu 215123, China; Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Jiangsu 215123, China.
authors.forename: Shuao
authors.initials: S
authors.lastname: Wang
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Jiangsu 215123, China; Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Jiangsu 215123, China.
authors.forename: Juan
authors.initials: J
authors.lastname: Diwu
authors.affiliation: School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an 710062, China.
authors.forename: Zhihong
authors.initials: Z
authors.lastname: Liu
keywords: Crystal structure; In situ ligand decomposition; Temperature dependent spectrum; Thorium(IV) sulfate fluoride