Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.
A series of phosphates, Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7), have been synthesized by a high temperature solution method and the crystal structures were determined by single crystal X-ray diffraction. They are isostructural and crystallize in the triclinic space group P1[combining macron]. It is interesting that there are two kinds of isolated polyphosphate anionic groups coexisting in the crystal structure, which is rare among phosphates. Their structures exhibit zero-dimensional [Li2(P2O7)2(P4O13)2]18-anionic clusters constructed by the LiO4, P2O7and P4O13groups, which are separated by the Pb2+or Ba2+cations. The structure of Pb9[Li2(P2O7)2(P4O13)2] could be obtained using Li2O as a dimensional reduction agent to dismantle Pb3P4O13. In addition, the infrared spectra and the UV-Vis-NIR diffuse reflectance spectra, as well as thermal analyses are reported. The first-principles theoretical studies are also carried out to understand the relationship between their electronic structures and linear optical properties.
State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, 030001, China and National Energy Center for Coal to Liquids, Synfuels China Co., Ltd, Huairou District, Beijing, 101400, China and University of Chinese Academy of Sciences, Beijing 100049, China.
Xiangyu
X
Zhang
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. wuhp@ms.xjb.ac.cn slpan@ms.xjb.ac.cn.
Hongping
http://orcid.org/0000-0003-2479-5832
H
Wu
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. wuhp@ms.xjb.ac.cn slpan@ms.xjb.ac.cn and University of Chinese Academy of Sciences, Beijing 100049, China.
Qiong
Q
Liu
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. wuhp@ms.xjb.ac.cn slpan@ms.xjb.ac.cn.
Xiaoyu
X
Dong
State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, 030001, China and National Energy Center for Coal to Liquids, Synfuels China Co., Ltd, Huairou District, Beijing, 101400, China and University of Chinese Academy of Sciences, Beijing 100049, China.
Yunlei
Y
Chen
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. wuhp@ms.xjb.ac.cn slpan@ms.xjb.ac.cn.
Zhihua
http://orcid.org/0000-0001-8726-7952
Z
Yang
State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, 030001, China and National Energy Center for Coal to Liquids, Synfuels China Co., Ltd, Huairou District, Beijing, 101400, China.
Xiao-Dong
http://orcid.org/0000-0001-5626-8581
XD
Wen
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China. wuhp@ms.xjb.ac.cn slpan@ms.xjb.ac.cn.
Shilie
http://orcid.org/0000-0003-4521-4507
S
Pan