Syntheses and Structural Studies of New Two-dimensional Quaternary Chalcogenides, A₂MPd₃Q₆ (A = Rb, Cs; M = Zr, Hf; Q = S, Se)

Alternative Title
새로운 2 차원 사성분계 칼코젠 화합물의 합성 및 구조 연구
Author(s)
박현규
Alternative Author(s)
Hyeon-gyu Park
Advisor
윤호섭
Department
일반대학원 에너지시스템학과
Publisher
The Graduate School, Ajou University
Publication Year
2023-02
Language
eng
Keyword
chalcogenidecrystal structure
Alternative Abstract
The new quaternary palladium chalcogenides, Rb2ZrPd3S6, Rb2HfPd3S6 and Cs2ZrPd3Se6 have been prepared from elemental powders through alkali metal halide flux methods and they are structurally characterized by single crystal X-ray diffraction techniques. They adopt two-dimensional layered structures. In these layers, there are two basic building blocks centered by metals. The early transition groups 4 metals (Zr, Hf) are surrounded by six Q (S, Se) atoms in a trigonal prismatic fashion and Pd atoms are coordinated to four square plane Q atoms. The structural variations of these phases come from the different connecting mode of these building blocks. <br>Two MQ6 units are bridged by two Pd atoms to form the basic repeating units, M2Pd2Q12. These units are linked together to complete the infinite anionic two-dimensional layer, 2¦∞[MPd3Q62-]. These layers stack on top of each other and the Alkali metal cations reside between the layers to satisfy the charge neutrality and complete the three-dimensional structure. <br>A series of new quaternary group 4 metal palladium chalcogenides, A2MPd3Q6 (A = Rb, Cs; M = Zr, Hf; Q = S, Se) have been prepared from elements with the use of alkali metal halide fluxes and they are structurally characterized by single crystal X-ray diffraction methods. They are isostructural and the structure of the title compounds consists of anionic 2¦∞[MPd3Q62-] slabs and alkali metal ions. In the slab, the group 4 metals, M are surrounded by six Q atoms in a trigonal prismatic fashion and the Pd atoms are coordinated to four Q atoms of a square plane. Two hexagons made of six edge-sharing square planar PdQ4 are interconnected by two trigonal prismatic MQ6 to form the basic repeating unit, M2Pd12Q28. These are linked together to form the infinite anionic two-dimensional 2¦∞[MPd3Q62-] slabs. These slabs stack on top of each other the alkali metal cations reside between the slabs to satisfy the change neutrality and complete the three-dimensional structure. No strong Q-Q bonding interaction is found in this phase and the charge valence of the title compounds should be described as [A+]2[M4+][Pd2+]3[Q2-]6 (A = Rb, Cs; M = Zr, Hf; Q = S, Se).
URI
https://dspace.ajou.ac.kr/handle/2018.oak/24453
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Graduate School of Ajou University > Department of Energy Systems > 3. Theses(Master)
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