R Behjat manesh-Ard akani - Departm ent of Chemistry, Payame N oor University, P.O. Box ۱۹۳۹۵-۳۶۹۷ Tehr an, IRAN
H KARGAR - Departm ent of Chemistry, Payame N oor University, P.O. Box ۱۹۳۹۵-۳۶۹۷ Tehr an, IRAN
B Daieakbari - Departm ent of Chemistry, Payame N oor University, P.O. Box ۱۹۳۹۵-۳۶۹۷ Tehr an, IRAN

Hydrogen bond i nteraction is one of the non-covale nt interacti on which plays an important role in solvation p rocess, sup ramolecular chemistry and in the properties of various mat erials.The proper hydro gen bond is represent ed as X-H...Y, where X and Y are electrone gative atoms. There is an intraction between Lo ne pair orbitals of the proton acce ptor "Y" with the antibonding orbitals of the p roton donor "X" and this can be explained using wein hold‚s natural bond orbital (NBO) an alysis [۱].

AIM, NBO, Intramolecular h ydrogen bon d, Tautomer