Structural Chemistry

Theoretical study of DABCO-based ionic liquid: synthesis and reaction mechanism

A Singh, P Singh, N Goel

Index: Singh, Amritpal; Singh, Paramjit; Goel, Neetu Structural Chemistry, 2014 , vol. 25, # 3 p. 821 - 828

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Citation Number: 4

Abstract

Abstract Quaternary ammonium salt obtained from the Menshutkin reaction between DABCO and benzyl chloride has been used in the synthesis of a novel Bronsted acidic ionic liquid (IL), namely 1-benzyl-4-(sulfobutyl)-diaza-bicyclo-octane hydrogen sulfate. The reaction of DABCO with benzyl chloride is a crucial step in the synthesis of this IL. Density functional theory calculations at B3LYP/6-31G (d, p) level have been employed to ...