Investigation of intramolecularhydrogen b ond and study of conformers of methyl ۳-oxo-۳-phenyl propanoate ( MOPP)

The tautomerism between the keto and enol form of ß-diketones can be repres ented as follows:it is well known that the cis-enol fo rm of ß-diketones is characteriz ed by a s trong intram olecular hydrogen bond . A complete conformational analysis of the ke to and chel ateted enol forms of MO PP. The hydrogen bond strength of the most stable confo rmer is compared with acetylaceton (AA).Method:Geometrical calculations are performed by using GA USSIAN pro grams. Geometries of the cis enol forms of MO PP and their correspon ding open structures a nd fully opti mized with MP۲ using ۶۳۱۱G* * base set.

کلیدواژه ها:

ß-diketones ، intra molecular h ydrogen bond ، transfer proton ، taut omerism