Structure determination and DFT studies of some organoplatinum(II) complexes containing 5,7-di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(2024)
摘要
The current paper describes the formation of a new series of platinum(II) complexes with 5,7-di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole (btbo) ligand. This study has focused on synthesis methods of some organoplatinum(II) complexes containing btbo ligand from two different reagents under different conditions. Furthermore, a detailed computational study was performed to identify the thermodynamic parameter's behavior. The synthesis was initiated from some complexes including cis-[PtCl2(dmso)(2)], R1, [PtCl2(COD)], R2 and a benzoxazole derivative as organic ligand 5,7-di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole, (btbo). Implementation of the H-1 NMR analysis procedure on products reveals two isomers' existence. Moreover, the thermodynamic parameters, (Delta H degrees, Delta G degrees, Delta S degrees), were quantified to achieve a more precise understanding. The energy diagram examination and considering the quantified parameters present the stability and instability of each product which is in notable agreement with the experimental data.
更多查看译文
关键词
Organoplatinum(II) complexes,Benzoxazole,DFT,Isomerization
AI 理解论文
溯源树
样例
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要