Mono-, di-, and tri-tert-butyl ethers of glycerol: A molecular spectroscopic study

…, M Jarosz, J Witowska-Jarosz, E Bednarek…

Index: Jamroz, Malgorzata E.; Jarosz, Malgorzata; Witowska-Jarosz, Janina; Bednarek, Elzbieta; Tecza, Witold; Jamroz, Michal H.; Dobrowolski, Jan Cz.; Kijenski, Jacek Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2007 , vol. 67, # 3-4 p. 980 - 988

Full Text: HTML

Citation Number: 54

Abstract

MS, NMR, IR and Raman molecular spectroscopy techniques were applied to characterize 3- tert-butoxy-propane-1, 2-diol, 1, 3-di-tert-butoxy-propan-2-ol, and 1, 2, 3-tri-tert-butoxy- propane. These ethers are the main products of glycerol etherification reaction and are excellent oxygen additives for diesel fuel. Computational DFT/B3LYP/6-31G** studies were performed to support and rationalize both vibrational spectroscopy analysis and the ...