Chemical Reports, Volume (2), No (1), Year (2020-1) , Pages (144-155)

Title : ( Synthesis, thermal properties, spectroscopic characterization and DFT computations of 1,3-propanediylbis (triphenylphosphonium) peroxydisulfate as a new oxidative agent )

Authors: , Mostafa Gholizadeh , Alireza Salimi ,

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Abstract

Thermal properties and spectroscopic characterization of new synthesized 1,3-propanediylbis (triphenylphosphonium) peroxydisulfate as a member of phosphonium persulfates were studied. 1H, 13C, 31P NMR and FT-IR were used to structural characterization of the title salt. To study the thermal behavior of the salt DSC, TG and DTA methods were used. Specific heat capacity of the salt was determined by DSC method in comparison of sapphire disk. Theoretical DFT computations such as structural optimization, energy, charge distribution, HOMO-LUMO energy levels and thermochemical parameters were performed with the Gaussian 09 package software using B3LYP/6-31+G* level of theory. Oxidation of several benzylic alcohols was performed by the persulfate salt in water as a mild oxidative agent.

Keywords

thermal properties • phosphonium peroxydisulfate • specific heat capacity • oxidizing agent • Density Function Theory computations
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@article{paperid:1080713,
author = {, and Gholizadeh, Mostafa and Salimi, Alireza},
title = {Synthesis, thermal properties, spectroscopic characterization and DFT computations of 1,3-propanediylbis (triphenylphosphonium) peroxydisulfate as a new oxidative agent},
journal = {Chemical Reports},
year = {2020},
volume = {2},
number = {1},
month = {January},
issn = {2591-7943},
pages = {144--155},
numpages = {11},
keywords = {thermal properties • phosphonium peroxydisulfate • specific heat capacity • oxidizing agent • Density Function Theory computations},
}

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%0 Journal Article
%T Synthesis, thermal properties, spectroscopic characterization and DFT computations of 1,3-propanediylbis (triphenylphosphonium) peroxydisulfate as a new oxidative agent
%A ,
%A Gholizadeh, Mostafa
%A Salimi, Alireza
%J Chemical Reports
%@ 2591-7943
%D 2020

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