Química Moderna e Aplicações

Abstrato

Real Structure of Benzene Molecule and the Thickness of Graphene

Ning Wang, Rui Wang, Dulun Wang

For more than 100 years, the problem of benzene molecular structure has not been solved. Based on the fact that the essence of chemical bonds is that the nuclei share electrons, this study proposes that each electron shared by the nuclei corresponds to a semi valence bond. Semivalent bonds can be formed between intervening carbon atoms of the benzene ring. A new theory of benzene molecular structure was established. Quantum mechanical calculations quantitatively explain the existence of ground and excited states of benzene, as well as the experimental results of the hydrogenation heat and ultraviolet spectroscopy of benzene. Semivalent bonds are represented by dashed lines, molecular structures and chemical reaction formulas of benzene and its dozens of homologues and derivatives are designed. The method is universal and can also record the chemical reaction process. Under the new theory, benzene stacks may form benzene tubes, and the thickness of the three-layer benzene tubes is calculated to be very close to graphene. Based on other properties of graphene, it is considered more like a three-layer structure.