首页> 外文期刊>European journal of inorganic chemistry >Bis(quinoxaline-dithiolato) nickel(III) Complexes [Bu4N][Ni-III(6,7-qdt)(2)] and [Ph4P][Ni-III(Ph(2)6,7-qdt)(2)]center dot CHCl3 (6,7-qdt = Quinoxaline-6,7-dithiolate; Ph(2)6,7-qdt = Diphenylquinoxaline-6,7-dithiolate): Synthesis, Spectroscopy, Electrochemistry, DFT Calculations, Crystal Structures and Hirshfeld Surface Analysis
【24h】

Bis(quinoxaline-dithiolato) nickel(III) Complexes [Bu4N][Ni-III(6,7-qdt)(2)] and [Ph4P][Ni-III(Ph(2)6,7-qdt)(2)]center dot CHCl3 (6,7-qdt = Quinoxaline-6,7-dithiolate; Ph(2)6,7-qdt = Diphenylquinoxaline-6,7-dithiolate): Synthesis, Spectroscopy, Electrochemistry, DFT Calculations, Crystal Structures and Hirshfeld Surface Analysis

机译:双(喹喔啉-二硫代氨基)镍(III)配合物[Bu4N] [Ni-III(6,7-qdt)(2)]和[Ph4P] [Ni-III(Ph(2)6,7-qdt)(2 )]中心点CHCl3(6,7-qdt =喹喔啉-6,7-二硫代酸酯; Ph(2)6,7-qdt =二苯基喹喔啉-6,7-二硫代酸酯):合成,光谱,电化学,DFT计算,晶体结构和Hirshfeld表面分析

获取原文
获取原文并翻译 | 示例
           

摘要

Two bis(quinoxaline-dithiolato) nickel(III) complexes [Bu4N][ Ni-III(6,7-qdt)(2)] (1; 6,7-qdt = quinoxaline-6,7-dithiolate) and [Ph4P][Ni-III(Ph(2)6,7-qdt)(2)]center dot CHCl3 (2; Ph(2)6,7-qdt = diphenylquinoxaline- 6,7-dithiolate) have been synthesized from their NiII analogues by iodine oxidation. Compounds 1 and 2 have been characterized by routine spectral analysis and singlecrystal X-ray structure determination. Nickel(III) complexes 1 and 2 exhibit redshifted absorption bands compared with their Ni-II analogues; the electronic absorption spectral studies have been corroborated by DFT calculations. Electro-chemical studies on 1 and 2 are consistent with those of their Ni-II analogues. Electron spin resonance (ESR) studies confirm that nickel is present in both 1 and 2 in its + 3 oxidation state. This is also consistent with the fact that only one cation (Bu4N+ for 1 and Ph4P+ for 2) is present in the respective crystal structures. The crystal structures of both compounds are characterized by C-H center dot center dot center dot S and C-H center dot center dot center dot N hydrogen-bonding interactions. Hirshfeld surface analyses have been studied to gain deep insight into the hydrogen-bonding interactions around/ among the coordination complex anions.
机译:两个双(喹喔啉-二硫代)镍(III)配合物[Bu4N] [Ni-III(6,7-qdt)(2)](1; 6,7-qdt =喹喔啉-6,7-二硫代硫酸盐)和[Ph4P ] [Ni-III(Ph(2)6,7-qdt)(2)]中心点CHCl3(2; Ph(2)6,7-qdt =二苯基喹喔啉-6,7-二硫代磺酸盐)已从其NiII合成类似物经碘氧化。化合物1和2已通过常规光谱分析和单晶X射线结构测定来表征。镍(III)配合物1和2与其Ni-II类似物相比显示出红移的吸收带。电子吸收光谱研究已通过DFT计算得到证实。对1和2的电化学研究与其Ni-II类似物的研究一致。电子自旋共振(ESR)研究证实,镍以+ 3氧化态同时存在于1和2中。这也与在各自的晶体结构中仅存在一个阳离子(1为Bu 4 N +和2为Ph 4 P +)这一事实相一致。两种化合物的晶体结构均以C-H中心点中心点中心点S和C-H中心点中心点中心点N氢键相互作用为特征。研究了Hirshfeld表面分析,以深入了解配位络合物阴离子周围/之间的氢键相互作用。

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