Versatile and green synthesis, spectroscopic characterizations, crystal structure and DFT calculations of 1,2,3‒triazole‒based sulfonamides
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- 作者：Hamid Saeidian ; Saeidian1980@gmail.com ; Hamed Sadighian ; Morteza Abdoli ; Morteza Sahandi
- 关键词：1 ; 2 ; 3-Triazoles ; Click chemistry ; Sulfonamides ; CuAAC reaction ; DFT calculation ; Electrophilicity index
- 刊名：Journal of Molecular Structure
- 出版年：2017
- 出版时间：5 March 2017
- 年：2017
- 卷：1131
- 期：Complete
- 页码：73-78
- 全文大小：1184 K
- 卷排序：1131
文摘
A very efficient method for the preparation of novel 1,2,3‒triazole-based sulfonamides via copper (I)‒catalyzed azide‒alkyne [3 + 2] Huisgen cycloaddition reaction was reported. The desired products were characterized by CHN analysis, FT-IR, 1H and 13C NMR, ESI-MS spectroscopy and single crystal X-ray diffraction. Mulliken charge distribution and electrophilicity index (HOMO-LUMO analysis) of the characterized structure of 3f have been calculated with the aid of DFT studies.