Protonated Phenol :Electronic Properties

Aromatic molecules are important in the wide range of science. Particularly their biological role for constructing the molecular building blocks such as proteins and DNA is crucial. Phenol is one of the simplest aryl alcohols with several applications in the organic chemistry, biology and bio-chemistry. Hence, heavy experimental and theoretical studies were done on the electronic transitions and electronic structures of this molecule [۱, ۲].Protonation is a fundamental chemical reaction. Recent advances in the laser spectroscopy and ab initio computational methods provide a good situation to study the isolated protonated aromatic molecules in the gas phase [۳]. The protonation effect in the electronic properties of phenol and substituted phenol is the main subject of this study.

کلیدواژه ها:

aromatic molecules ، Electronically transition ، protonation ، protonated molecules