Synthesis and Characterization of Ammonium Ionic Liquids and Their Antimicrobial and Computational Overview

The ammonium acetate and formate ionic liquids (ILs) were synthesized in the neutralization reaction with different cations of alkanol amine and alkyl amine with formic and acetic acid as an anion. Thin layer Chromatography monitored the reaction and the synthesized six ILs was characterization by FT-IR spectroscopy and 1H, 13C Nuclear Magnetic Resonance (NMR) spectroscopy. The spectroscopic analysis of the synthesized ILs gives the excellent agreement for the confirmation of their synthesis and purity. These compounds were tested in computing program of computational chemistry on two basis sets, Mm+ and PM3 for the calculation using molecular mechanics by HyperchemR Release 8.0 (Hypercube, Inc.). Single point calculations were carried out to evaluate the data profile on the physical properties, such as total energy, binding energy, hydration energy, dipole moment, the heat of formation and energies for HOMO and LUMO. Furthermore, the synthesized ILs was screening antimicrobial activity against both of gram positive and gram negative bacteria such as Bacillus cereus, Staphylococcus aureus, Escherichia coli, Salmonella typhi, Pseudomonas aeroginosa and Shigella dysenteriae and two phytopathogenic fungi such as Aspergillus niger and Rhizopus azzahra to establish as a green and environmentally benign solvent.