Title : ( Crystal Structure (X-ray) and Solid State Computational (DFT/Hirshfeld Surface) Study for Probing the New Efficient and Recyclable Oxidant of 1,2-Ethandiylbis(triphenylphosphonium) Peroxodisulfate Dihydrate )
Authors: reihane salmasi , Alireza Salimi , Mostafa Gholizadeh , seiede Arghavan Abolghasempour , Jered C. Garrison ,
Full TextAbstract
A new efficient and recyclable oxidant for oxidation of benzylic alcohols, 1,2-Ethandiylbis(triphenylphosphonium) Peroxodisulfate Dihydrate (I) has been synthesized and characterized by IR, NMR spectroscopy and single crystal X-ray crystallography. The Hirshfeld surface and associated finger print plot were derived from the X-ray structure to visualize the significant non-classical C-H…O interactions in the crystal packing. The geometry, vibrational spectroscopy and electronic properties of the triphenylphosphonium dication has been also investigated by various DFT computational methods.
Keywords
, Triphenylphosphonium salt, X-ray crystal structure analysis, Oxidation catalysis, Hirshfeld surface analysis, DFT computation.
@article{paperid:1056916,
author = {Salmasi, Reihane and Salimi, Alireza and Gholizadeh, Mostafa and Abolghasempour, Seiede Arghavan and Jered C. Garrison},
title = {Crystal Structure (X-ray) and Solid State Computational (DFT/Hirshfeld Surface) Study for Probing the New Efficient and Recyclable Oxidant of 1,2-Ethandiylbis(triphenylphosphonium) Peroxodisulfate Dihydrate},
journal = {Phosphorus, Sulfur, and Silicon and the Related Elements},
year = {2016},
volume = {109},
number = {10},
month = {August},
issn = {1042-6507},
pages = {1380--1387},
numpages = {7},
keywords = {Triphenylphosphonium salt; X-ray crystal structure analysis; Oxidation catalysis; Hirshfeld surface analysis; DFT computation.},
}
%0 Journal Article
%T Crystal Structure (X-ray) and Solid State Computational (DFT/Hirshfeld Surface) Study for Probing the New Efficient and Recyclable Oxidant of 1,2-Ethandiylbis(triphenylphosphonium) Peroxodisulfate Dihydrate
%A Salmasi, Reihane
%A Salimi, Alireza
%A Gholizadeh, Mostafa
%A Abolghasempour, Seiede Arghavan
%A Jered C. Garrison
%J Phosphorus, Sulfur, and Silicon and the Related Elements
%@ 1042-6507
%D 2016
