Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: A theoretical study.

Highlights: [•] The interaction energy decreases with the increase of side-chain length in anion. [•] The interactions are electrostatic in the nature. [•] The side-chain length has an important effect on the contribution of E elect term. [•] The H-bond interactions between cation and anion are noncovalent interaction. [Copyright &y& Elsevier]