2022 Volume 21 Issue 3 Pages 69-75
In recent years, adhesives have been studied and used in many fields. Both basic and applied researches have been conducted. But, the adhesion mechanism is still not understood in detail. The purpose of this study is to analyze the adsorption state of a vinyl monomer having a 2-mercaptopyridyl (2MP) group. The vinyl monomer is used as a component of adhesive materials. 2MP groups attach to the surface of the adherend, and they undergo tautomerization reactions where thione- or thiol-type chemical structures are taken. Computational analyses were performed according to density general function method and the first principles of quantum mechanics.
We calculated the molecular orbitals of vinyl monomers of including the 2MP group. Our evaluation revealed the electronic states of each chemical structure through the equilibrium reaction．The influence of the electronic states on the adsorption by 2MP groups was then analyzed and compared.
