Combined infrared spectroscopic and computational study on simpler capsaicin derivatives and their anion intermediates in the scavenging of free radicals
作者： D. Yancheva , S. Stoyanov , K. Anichina , S. Nikolova , E. Velcheva
DOI: 10.1016/J.CHEMPHYS.2020.110763
关键词:
摘要: Abstract Two capsaicin analogues – N-(4-hydroxy-3-methoxybenzyl)acetamide and N-(4-hydroxy-3-methoxybenzyl)benzamide, were studied by DFT methods in order to estimate their ability act as antioxidants. A comparative study on the stability of benzylic, phenoxyl amide radicals has outlined most reactive site for hydrogen atom abstraction proton transfer. The enthalpies related formation those species modeled gas phase, benzene, DMSO water determine probable mechanism antioxidant action polar nonpolar medium. anion, energetically favoured medium, was investigated infrared spectroscopy based conversion benzamide derivative.
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