• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Statistical analysis of noncovalent interactions of anion groups in crystal structures. III. Metal complexes of thiocyanate and their hydrogen-donor accepting function
【24h】

Statistical analysis of noncovalent interactions of anion groups in crystal structures. III. Metal complexes of thiocyanate and their hydrogen-donor accepting function

机译：晶体结构中阴离子基团非共价相互作用的统计分析。三，硫氰酸盐的金属配合物及其氢供体的接受功能

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The bidentate function of the thiocyanate anion was studied using the Cambridge Structural Database System. Complexing properties (metal-thiocyanate interactions) with respect to metal cations were analysed. Two main classes were distinguished: (a) alkali and alkaline earth metals, and (b) metals of Zn and Cu groups and transition metals (group VIII). Good correlations were found between the nature of the metal (radius, oxidation state and charge) and its position relative to the thiocyanate unit. Hydrogen-bond acceptor properties of discrete and complexed SCN units were compared. The extraordinarily active hydrogen-bonding behaviour allows this anion to act as a powerful bridge between different molecular fragments. In metal complexes the cation provokes a redistribution of anionic charge in SCN and the distribution of electron density, in turn, controls the hydrogen-bonding properties of the terminal acceptor atom. Binding properties of thiocyanate in biological systems were illustrated using the Brookhaven Protein Data Bank. A comparison of anion binding in small-molecule structures and in macromolecular structures shows good agreement.
机译：使用剑桥结构数据库系统研究了硫氰酸根阴离子的双齿功能。分析了相对于金属阳离子的络合性能（金属硫氰酸盐相互作用）。区分了两个主要类别：（a）碱金属和碱土金属，以及（b）Zn和Cu基金属以及过渡金属（VIII组）。发现金属的性质（半径，氧化态和电荷）与其相对于硫氰酸酯单元的位置之间具有良好的相关性。比较了离散和复杂SCN单元的氢键受体性能。异常活跃的氢键行为使该阴离子充当不同分子片段之间的强大桥梁。在金属络合物中，阳离子引起SCN中阴离子电荷的重新分布，而电子密度的分布又控制末端受体原子的氢键性质。使用Brookhaven蛋白质数据库说明了硫氰酸盐在生物系统中的结合特性。小分子结构和大分子结构中阴离子结合的比较显示出良好的一致性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号