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Clipping a network into a crystal

机译:将网络剪成水晶

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AlPO_4-CJ2 crystallogenesis has been followed by in-situ NMR and its solid state structure has been investigated by solid state NMR. The 4Ring units, that are connected to form the framework of the structure, have a bridging group which is fractionally occupied by fluorine or hydroxide. In solution the 4R unit does not exhibit this bridge. From the mechanistic description of the structure formation. it appears that the bridge forms at inclusion of the 4R into the crystal. Two phenomena are evidenced clearly in this study. First there is a definite relation between the species pre-existing in solution and the units identified in the crystal. However, both species differ by an isomerization. Second, nucleation and crystal growth differ for the mechanism of unit inclusion. At nucleation, units connect through the networking bonds. When the critical size of nucleation has been reached a clipping process transform the network into a crystallite by forming the proper conformation of bonds. In the case of AlPO_4-CJ2 the main aspect of this conformational transformation is the formation of the bridge in the 4R and the coordination change of one aluminum atom giving rise to some distances adjustment to allow for lattice formation. This phenomenon evidenced through the bridged formation of A1PO_4-CJ2 is of general significance in crystal formation. It may occur through covalent bonding as well as with hydrogen bonds or Coulombic interaction.
机译:AlPO_4-CJ2的结晶发生后进行了原位NMR,并通过固态NMR研究了其固态结构。连接形成结构框架的4环单元具有一个桥基,该桥基被氟或氢氧化物部分占据。在解决方案中,4R单元不具有此桥。从力学上描述结构的形成。似乎在将4R包含到晶体中时形成了桥。这项研究清楚地证明了两种现象。首先,溶液中预先存在的物质与晶体中确定的单位之间存在明确的关系。但是,两种物质的异构化不同。其次,成核和晶体生长因单元夹杂的机理而不同。成核时,单元通过网络连接进行连接。当达到关键的成核大小时,通过形成适当的键构象,削波过程将网络转变为微晶。在AlPO_4-CJ2的情况下,这种构象转变的主要方面是在4R中形成桥,并且一个铝原子的配位变化引起一定的距离调节以允许晶格形成。通过AlPO_4-CJ2的桥接形成所证明的这种现象在晶体形成中具有普遍意义。它可能通过共价键以及氢键或库仑相互作用发生。

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