Th eoretical Investigation of Solv ent Effect on Arom aticity of ۷-Azaindole

Aromaticity and reactivity are two deeply connected concepts. Although arom aticity cann ot be directl y measured, but, there are different methods t o describe it quantitativ ely. In this study, two different criteria was a pplied to investigate th e aromaticity of ۷-azaindole (۷A I) via complexation with solvent: The geome try based; HOMA (Harmonic Osc illator Mod el of Aromaticity) index and magn etic based; NICS (Nucleus- Indepe ndent Chem ical Shifts). The effect of several protic and aprotic solven ts on this context has been evaluated .

کلیدواژه ها:

Arom aticity ، HOMA ، NICS ، Azaindole