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Alkaline-earth metal phenylphosphonates and their intercalation chemistry
Dalton Transactions ( IF 4 ) Pub Date : 2018-01-03 00:00:00 , DOI: 10.1039/c7dt03728g
Klára Melánová 1, 2, 3 , Ludvík Beneš 3, 4, 5, 6, 7 , Jan Svoboda 3, 5, 6, 7, 8 , Vítězslav Zima 1, 2, 3 , Miroslav Pospíšil 3, 9, 10, 11 , Petr Kovář 3, 9, 10, 11
Affiliation  

The intercalation chemistry of layered alkaline-earth metal phenylphosphonates with the general formula MeC6H5PO3·2H2O (Ca, Sr, Ba) is reviewed. The preparation of the host materials is described and their behavior in dependence on the relative humidity and pH of the reaction medium is discussed. Mutual relationships between MeC6H5PO3·2H2O and Me(C6H5PO3H)2 were investigated using a method of computer-controlled addition of reagents. The MeC6H5PO3·2H2O compounds are able to intercalate species having a free electron pair through the so-called coordination intercalation. In this way, 1-alkylamines, 1-alkanols, 1,n-diols and 1,2-diols were intercalated. In the case of the ethanol and methanol intercalates of strontium phenylphosphonate we were able to determine the structure of the host part by single-crystal X-ray diffraction. By combination of the data obtained from the diffraction with molecular modeling we suggested the arrangement of the host molecules in the interlayer space of the host. The arrangement of the shorter diols in the interlayer space of strontium phenylphosphonate was also proposed on the basis of molecular modeling calculations. These models help us to understand the structure of the prepared intercalates.

中文翻译:

碱土金属苯基膦酸盐及其嵌入化学

综述了层状碱土金属苯基膦酸酯的通式为MeC 6 H 5 PO 3 ·2H 2 O(Ca,Sr,Ba)的插层化学。描述了主体材料的制备,并讨论了它们的行为取决于反应介质的相对湿度和pH。采用计算机控制添加试剂的方法研究了MeC 6 H 5 PO 3 ·2H 2 O与Me(C 6 H 5 PO 3 H)2的相互关系。MeC 6 H 5 PO 3 ·2H2 O化合物能够通过所谓的配位嵌入而嵌入具有自由电子对的物质。这样,插入了1-烷基胺,1-链烷醇,1,-二醇和1,2-二醇。在苯膦酸锶的乙醇和甲醇插层的情况下,我们能够通过单晶X射线衍射确定主体部分的结构。通过将从衍射获得的数据与分子建模相结合,我们建议了宿主分子在宿主层间空间中的排列。在分子模拟计算的基础上,还提出了较短的二醇在苯基膦酸锶层间空间中的排列。这些模型有助于我们了解所制备的插层的结构。
更新日期:2018-01-03
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