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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(III) and halobismuthates(III). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties
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Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(III) and halobismuthates(III). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties

机译：基于Homopiperidinium阳离子用卤代锑酸盐（III）和Halobismucate（III）的有机 - 无机杂交物的研究。 晶体结构，可逆相转变，半导体和分子动态特性

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A description of the thermal, structural, H-1 NMR, electric and optical properties of four organic-inorganic hybrids, haloantimonates(iii) and halobismuthates(iii), based on homopiperidinium cation: (C6H14N)(2)SbCl5 (abbrev. HSC), (C6H14N)(2)SbBr5 (HSB), (C6H14N)(2)BiCl6[H3O] (HBC), (C6H14N)(2)BiBr5 (HBB), is presented. The common feature of the crystal structures of the studied compounds is the 1D (one-dimensional) chain for the anionic network in HSC, HSB and HBB, 1D hydrogen bond chain between 0D (zero-dimensional, isolated) BiCl6 octahedrons and hydronium moieties in HBC as well as a rich polymorphism in the solid state for all title compounds. The structures of the Sb(iii) and Bi(iii) derivatives are not isomorphous and they crystallize in the following space groups: HSC in P2(1)2(1)2(1) both at 280 and 150 K, HSB in Pmna and P2(1)2(1)2(1) at 310 and 150 K, respectively, HBC in C2/m, C2/m and C2/c at 300, 260 and 200 K, respectively, and HBB in P2(1)/n both at 280 and 200 K. The anionic networks are in the forms of either pseudo- and zig-zag chains or a chain of a hydrogen bond. The band gap values, using the Tauc plot as well as the ac and dc conductivity parameters, were estimated. On the basis of the H-1 NMR spin-lattice relaxation times, T-1, and second-moment, M-2, measurements and the dielectric responses, the molecular mechanisms of the phase transitions (PTs) have been postulated. The structural PTs are discussed in terms of the changes in cationic dynamics and distortions of the anionic sublattice. The powder technique of SHG (Kurtz and Perry method) has been used to analyze the second-order nonlinear optical properties of HSC.
机译：基于Homopiperidinium阳离子的热，结构，H-1nmR，四种有机 - 无机杂种，卤代锑酸盐（III）和Halobismuthate（III）的热，结构，H-1nMR，电和光学性质：（C6H14N）（2）SBCL5（ABBREV。HSC （C6H14N）（2）SBBR5（HSB），（C6H14N）（2）BiCl6 [H 3 O]（HBC），（C6H14N）（2）Bibr5（HBB）。所研究的化合物的晶体结构的常见特征是HSC，HSB和HBB中的阴离子网络的1D（一维）链，1D氢键链在0d（零维，分离的）BiCl6八面物和氢化氢部分之间HBC以及所有标题化合物的固态中的富含多态性。 Sb（III）和Bi（III）衍生物的结构不是同种同质的，并且它们在以下空间基团中结晶：在P2（1）2（1）2（1）中在280和150k，HSB中的P2（1）2（1）中的HSC和310和150k的P2（1）2（1）分别在310和150 k下，分别为300,260和200k的C 2 / M，C 2 / M和C2 / C的HBc和P2中的HBB（1在280和200k下，阴离子网络是伪和锯齿链的形式或氢键链的形式。估计使用Tauc曲线图以及AC和DC电导率参数的带隙值。基于H-1 NMR旋转晶格弛豫时间，T-1和第二时刻，M-2，测量和介电反应，已经假设了相变（PTS）的分子机制。在阴离子子分离的阳离子动力学和扭曲的变化方面讨论了结构PTS。 SHG（Kurtz和Perry方法）的粉末技术已被用于分析HSC的二阶非线性光学性质。

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