Positions of cations and molecules in zeolites with the chabazite framework. IV Hydrated and dehydrated Cu2+-exchanged chabazite
Positions of cations and molecules in zeolites with the chabazite framework. IV Hydrated and dehydrated Cu2+-exchanged chabazite
复制标题
具有菱沸石骨架的沸石中阳离子和分子的位置。
DOI：
10.1016/0025-5408(77)90025-3
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发表时间：
1977
影响因子：
5.4
通讯作者：
W. Mortier
中科院分区：
文献类型：
--
作者：
J. Pluth;J. V. Smith;W. Mortier
用KCl和CuCl 2溶液对产自德国蒂罗尔州博曾的菱沸石进行离子交换，得到Cu1.8K0.2Al3.9Si8.1O24。nH 2 O。在室温下测定了水合和脱水结构。R3 m中的细胞尺寸为：水合α 9.411（2）<$α 95.31（1）°;在350° C下真空脱水α 9.310（2）<$α 92.01（2）°。d-Cu-菱沸石中的Cu 2+离子均位于6-环中心附近，分别位于3个0（4）和3个0（3）的1.97nm和2.83nm处。Cu 2+从一个三角形配位到三个0（4）的位置位移0.15 μ m到大笼中，可能是由于试图达到Jahn-Teller扭曲的四面体配位，或来自另一个Cu 2+穿过双三棱柱的静电排斥，或两者兼而有之。TO距离随着TOT角度减小而增大。h-Cu-菱沸石的电子密度的解释是不确定的，但所有的Cu 2+离子和水分子都在大笼中，可能是与Jahn-Teller畸变的水化复合物。
Abstract Chabazite from Bozen, Tyrol was ion-exchanged with KCl and further exchanged with CuCl 2 solution to Cu 1.8 K 0.2 Al 3.9 Si 8.1 O 24. nH 2 O. Both the hydrated and dehydrated structures were determined at room temperature. Cell dimensions in R3m are: hydrated a 9.411 (2) Å α 95.31 (1)°; vacuum-dehydrated at 350° C a 9.310 (2) Å α 92.01 (2)°. All Cu 2+ ions of d-Cu-chabazite were located near the center of the 6-ring, 1.97 Å from three 0 (4) and 2.83 Å from three 0 (3). Displacement of Cu 2+ by 0.15 Å into the large cage from a position for triangular coordination to three 0 (4) may result from either an attempt to reach a Jahn-Teller distorted tetrahedral coordination, or electrostatic repulsion from another Cu 2+ across the ditrigonal prism, or both. The TO distances increase as the TOT angles decrease. Interpretation of the electron density of h-Cu-chabazite is uncertain, but all Cu 2+ ions and water molecules are in the large cage, perhaps as hydration complexes with Jahn-Teller distortion.