Investigation of solvation energ y and intramolecular hydro gen bond of ۱,۳,۴ -Oxadiazole-۲-thiol derivati ves in diff erent solvents

۱,۳,۴-oxadiazole- ۲-thiol deriv atives display various types of bi ological activity,۱,۲ including bactericidal, antimicotic, anti-inflammatory, hypotensive, fu ngicidal and anticonv ulsant activities.۳ In addition, their derivatives represent an impo rtant group of hetero cyclic comp ounds in the field of co ordination chemistry because of t heir potentia l multifunctional donor sites, via eit her exocyclic sulfur or endo cyclic nitrogen atoms.۴,۵

کلیدواژه ها:

۱ ، ۳ ، ۴-Oxadiazole- ۲-thiol ، Den sity functional theory ، Self-consiste nt reaction field ، Dimethylformamide ، Acetonit rile.