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Theoretical investigation of 1,3-Di(n-pyridyl)-1,3-propanediones
The formation of the hydrogen bond stabilizes the chelated enol forms of β-diketones. Several experimental and theoretical data imply that some substituents in α- or β-positions significantly change the strength of ...
Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione
Intramolecular hydrogen bonding (IHB) and vibrational frequencies of 1,1,1-trifluoro-5,5-dimethyl-2,
4-hexanedione (TFDMHD) have been investigated by means of density functional theory (DFT) calculations, Atoms in ...
Conformation, molecular structure, and vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II)
Conformational analysis, molecular structure, relative stability, and complete vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II), Cu(tmhd)2, were investigated by density functional theory ...
Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study)
Conformational stability, equilibrium constant between two stable cis-enol forms, and
intramolecular hydrogen bonding (IHB) of benzoylacetone (BA) and p-substituted benzoylacetone
(X-BA), where X=NO2, OCH3, ...
Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach
This paper presents a combined experimental and theoretical study on the CueO bond strength of
copper (II) a-methylacetylacetonate, Cu(3-Meacac)2, and copper (II) a-ethylacetylacetonate, Cu(3-
Etacac)2, ...
Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions
,-unsaturated--ketoamines are capable of forming an N-H…O asymmetric intramolecular hydrogen bond. The 4-amino-3-penten-2-one has an N-H…O intramolecular hydrogen bond. Furthermore this compound is capable of forming ...