Synthesis, structure elucidation and DFT studies of new thiadiazoles
摘要：
A series of previously unavailable derivatives of coumarins were synthesized via the reaction of 4-hydroxycoumarin with ethyl bromoacetate which were then cyclized with thiosemicarbazide. The structures of all synthesized compounds were confirmed by nuclear magnetic resonance (NMR) and infra red (IR) spectroscopic techniques in addition to the use of elemental analysis method (CHN). Selected optimized geometrical parameters, have been reported and highest occupied molecular orbital (HOMO) - lowest unoccupied molecular orbital (LUMO) energies and structures were elucidation. Key words: DFT, HOMO-LUMO energies, 4-hydroxycoumarin, ethyl bromoacetate, nitrous acid, thiosemicarbazide
展开
DOI：
10.5897/IJPS11.1512
被引量：
年份：
2011
通过文献互助平台发起求助，成功后即可免费获取论文全文。
相似文献
参考文献
引证文献
引用走势
辅助模式
引用
文献可以批量引用啦~
欢迎点我试用！
