The conforma tional and vibrational assign ment stu dies of ethyl-۲, ۴-dio xo-۴-ph enyl butanoate

ȕ -dicarbonyls are capable o f keto-enol tautomerism. The cis -enol form of ȕ- dicarbonyl comp ounds are stabilized by a strong intramolecular hydrogen bond with a double minimum charac ter [۱-۴]. E thyl-۲, ۴-d ioxo-۴-phenyl butanoate (EDPB) h as two ȕ-substituted groups with d ifferent elec tron-withdrawing strength. This compound is c onsisting of conformers with six-m ember chelated ring and seven-mem ber chelated rings that only six -member is en gaged in intramolecular hydrogen bo nd (IHB) sy stem. The h ydrogen bond strength of the most stable confo rmer of EDP B is compared with that of dimethyl oxaloacetate (DMOA) [۵].

کلیدواژه ها:

Ethyl-۲ ، ۴-diox o-۴-phenyl butanoate ، I ntramolecul ar hydrogen bond ، D ensity function theory ، Conformatio nal analysis