An interpretation of the experimental IR and Raman spectra of Aluminum (III) trifluoroacetylacetonate

(Al(TFAA)3) complex, which were synthesized by us, is first reported here. The charge distribution, isomerism, ...

Structure and intramolecular hydrogen bond (IHB) of 1,2-dithenoylcyclopentadiene (DTCP) have been investigated with quantum mechanical calculations using density functional theory at B3LYP level using some Pople-style basis ...

potential measurement for better understanding of the

modified PVAs performance as inhibitor of hydrate growth. In addition, surface tension

measurement of modified PVAs solutions, investigation of molecular structures, and analysis of...

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 ...

Density functional theory (DFT) and Atoms-in-Molecules (AIM) analyses as well as Fourier transform
Infrared, Raman, and UV spectra have been used to investigate the structure and vibrational spectra of
bis(3,5-hept ...

In this study, three new compounds containing two coordination complexes and one proton transferred salt of pyridine-2,5-dicarboxylic acid N-oxide were prepared at different reaction conditions. Bases influences such as ...

syntheses, spectroscopic characterization, and molecular structures of two novel supramolecular coordination compounds of trivalent chromium...

In this paper, molecular structure, relative stability and ligand-metal bond strength of bis (trifluoroacetylaceton) copper (II), Cu (tfaa) 2, have been investigated by applying density functional theory (DFT), Natural Bond Orbital (NBO) theory...