期刊
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
卷 191, 期 10, 页码 1380-1387出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/10426507.2016.1206106
关键词
Triphenylphosphonium salt; X-ray crystal structure analysis; oxidation reagent; Hirshfeld surface analysis; DFT computation
资金
- Ferdowsi University of Mashhad Research Council [36987]
A new, efficient and recyclable reagent, 1,2-Ethandiylbis(triphenylphosphonium) peroxodisulfate dihydrate, for the oxidation of benzylic alcohols has been synthesized and characterized by IR, NMR spectroscopy, and single crystal X-ray crystallography. Using the title compound, the results indicate that the oxidation reactions are rapid, take place under mild reaction conditions, easily to work-up and high yielding. The Hirshfeld surface and associated finger print plots were derived from the X-ray structure to visualize the significant nonclassical C-H O/ interactions in the crystal packing. The geometry, vibrational spectroscopy and electronic properties of the bis(triphenylphosphonium) dication have also been investigated by various DFT computational methods. [GRAPHICS] .
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