Title : ( Synthesis, thermal properties, spectroscopic characterization and DFT computations of 1,3-propanediylbis (triphenylphosphonium) peroxydisulfate as a new oxidative agent )
Authors: , Mostafa Gholizadeh , Seyed reza Nokhbeh ,
دانلود فایل برای اعضای دانشگاهAccess to full-text not allowed by authors
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
@article{paperid:1080713,
author = {, and Gholizadeh, Mostafa and Nokhbeh, Seyed Reza},
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},
}
%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 Nokhbeh, Seyed Reza
%J Chemical Reports
%@ 2591-7943
%D 2020
