ABSTRACT

Aromaticity is a key concept in variety of areas of chemistry [1]. This concept constitutes the rational basis to understand the structure, stability, and reactivity of many molecules. Aromaticity has a long history dating back to the early nineteenth century. In 1825, Michel Faraday isolated a compound from a oily mixture collected in tanks used to store coal gas at high pressures. Faraday found that the compound has unusually small hydrogen-to-carbon ratio of 1:1 and he named the compound “bicarburet of hydrogen” [2]. Ten years later, Eillardh Mitscherlich synthesized the same compound by heating benzoic acid, isolated from gum benzoin, with lime and he also found the empirical formula as CH. Since the new compound was derived from gum benzoin, he named it as benzin [3], which became benzene when translated into English. He also established that the molecular formula of this compound was C6H6. Later, it was recognized that even though benzene is an unsaturated compound, it differs greatly from the corresponding aliphatic compounds. Benzene

1.1 Introduction ......................................................................................................1 1.2 Computational Details ......................................................................................7 1.3 Result and Discussion .......................................................................................7