Conformational analysis of 1-butyl-3-methylimidazolium by CCSD(T) level ab initio calculations: effects of neighboring anions

Conformational energies are calculated for the butyl group of 1-butyl-3-methylimidazolium (bmim) is calculated by high level ab initio methods. The studies have shown that the GT rotamer of bmim is the most stable in ionic liquids and the positive charge on the imidazolium ring has not changed the conformational energies.