Chemistry Letters, Vol.41, No.7, 672-673, 2012
Theoretical Studies of Solvation Effects on 2-(2-Hydroxyphenyl)benzimidazole
Stabilization energies at enol, keto, and transition state structures of 2-(2-hydroxyphenyl)benzimidazole in several types of solvents are systematically examined by quantum chemistry calculations. The solvent effects on the stability of keto are discussed and it has been shown that the keto form on the ground state does not have a local minimum in any type of solvents.