...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Organoselenium(II) halides containing the pincer 2,6-(Me_2NCH_2)_2C_6H_3 ligand - an experimental and theoretical investigation
【24h】

Organoselenium(II) halides containing the pincer 2,6-(Me_2NCH_2)_2C_6H_3 ligand - an experimental and theoretical investigation

机译：含有钳形2,6-（Me_2NCH_2）_2C_6H_3配体的卤化有机硒（II）-实验和理论研究

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

New organoselenium(II) halides of the type [RSe]~+X~- [R = 2,6-(Me_2NCH_2)_2C_6H_3; X = Cl (2), Br (3), I (4)] were prepared by cleavage of the Se-Se bond in R_2Se_2 (1) with SO_2Cl_2 followed by halogen exchange when organoselenium chloride was treated with NaBr or KI. The reaction between 2 and R'2MCln resulted in new ionic [RSe]~+[R'_2MCl_(n+1)]~- [R' = 2-(Me_2NCH_2)C_6H_4, n = 1, M = Sb (5), Bi (6); R' = Ph, M = Sb, n = 1 (7) or n = 3 (8)] species. All new compounds were investigated in solution by multinuclear NMR spectroscopy (~1H, ~(13)C, ~(77)Se, 2D experiments) and mass spectrometry. The ionic nature of 2 and the antimonates species was confirmed by conductivity studies. The molecular structures of [{2,6-(Me_2NCH_2)_2C_6H_3}Se]~+Cl~-?nH_2O (2?H_2O and 2?2H_2O) and [{2,6-(Me_2NCH_2)_2C_6H_3}Se]~+[Ph_2SbCl_4)]~- (8), respectively, were established by single-crystal X-ray diffraction, pointing out that the ionic nature of these compounds is also preserved in the solid state, with both nitrogen atoms strongly trans coordinated to the selenium atom of the cation. Theoretical calculations carried out at the DFT level were exploited to investigate the nature of the bonding in compounds 2-4 and the free cation [RSe]~+ (2a). A topological analysis based on the theory of Atoms-In-Molecules (AIM) and Electron Localization Function (ELF) jointly to a Natural Bond Orbital (NBO) approach was used to shed light on the effect of the nature of the halogen species X on the bonding within the 3c-4e N-Se-Nmoiety.
机译：[RSe]〜+ X〜-[R = 2,6-（Me_2NCH_2）_2C_6H_3的新型有机硒（II）卤化物; X = Cl（2），Br（3），I（4）]的制备方法是：用NaCl或KI处理氯化有机硒时，用SO_2Cl_2裂解R_2Se_2（1）中的Se-Se键，然后进行卤素交换。 2与R'2MCln之间的反应产生新的离子型[RSe]〜+ [R'_2MCl_（n + 1）]〜-[R'= 2-（Me_2NCH_2）C_6H_4，n = 1，M = Sb（5） ，Bi（6）; R'= Ph，M = Sb，n = 1（7）或n = 3（8）]种。所有新化合物均通过多核NMR光谱法（〜1H，〜（13）C，〜（77）Se，2D实验）和质谱法在溶液中进行研究。电导率研究证实了2和锑酸根离子的离子性质。 [{2,6-（Me_2NCH_2）_2C_6H_3} Se]〜+ Cl〜-？nH_2O（2？H_2O和2？2H_2O）和[{2,6-（Me_2NCH_2）_2C_6H_3} Se]〜+ [通过单晶X射线衍射分别确定了Ph_2SbCl_4）]〜-（8），指出这些化合物的离子性质也保持在固态，两个氮原子都强烈地与硒原子反式配位阳离子。利用在DFT级别进行的理论计算来研究化合物2-4和游离阳离子[RSe]〜+（2a）中键的性质。基于原子分子（AIM）和电子定位功能（ELF）理论结合自然键轨道（NBO）方法的拓扑分析用于阐明卤素物种X的性质对3c-4e N-Se-Nmoiety中的键合。

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