Tautomerism equilibrium given in Fig. 1 shows that two keto-enol tautomerisms are possible for β-Dicarbonyls. The position of the keto-enol equilibrium for this class of compounds differs according to electronic characteristics ...

Molecular structure and vibrational frequencies of 1,3-diphenyl-1,3-propanedione, known as dibenzoylmethane (DBM), have been investigated by means of density functional theory (DFT) calculations. The results were compared with those...

There are some discrepancies in both the vibrational assignments and in the metal–ligand (M–L) bond strengths predicted in the previous studies on the copper (II) chelated complex of dibenzoylmethane, Cu(dbm)2. Also, there is a lack of theoretical...

A highly sensitive ion-selective bulk optode membrane for sensing UO2

2+ ion based on plasticized

poly(vinyl chloride) containing 6,7,9,10,12,13,15,16,23,24,25,26-dodecahydrodibenzo[n,v][1,4,7,10,

13 ...

Conformational analyses of all possible cis-enol forms and their molecular structures for benzoylacetone (BA), dibenzoylmethane (DBM) and 1-benzoyl-3,3-dimethane-2-buthanone (BDMB) have been investigated by means of density functional theory (DFT...

,3-diphenylpropane-1,3-dione, which is also known as α-bromo-dibenzoylmethane, BrDBM, can be considered as representative example of a symmetric β-dicarbonyl. Since the DFT calculations and vibrational spectroscopy are highly sensitive methods to theoretically...