Taut omeric p ropertis o f a Schiff base drived from thiosemicarbazide and ۵-chloro salicylaldehy de : NBO and AIM analyses

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].

کلیدواژه ها:

AIM ، NBO ، Intramolecular h ydrogen bon d ، Tautomer