Tuning the structural, electronic and electrochemical properties of the 4-methyl-1-phenyl triazolium based [PhMeTAZ][Y1-8] ionic liquids through changing anions: A quantum chemical study

In the present work, effect of anion variations on the structural, electronic and thermodynamic characteristics of the tunable phenyl methyl triazolium based ionic liquids [PhMeTAZ][Y1-8] (Y = CH3COO−, NO3−, CF3COO−, BF4−, ClO4−, N(CN)2−, TF2N− and C(CN)3− were explored at M06-2X/6-311 ++G(d,p) level of theory.132