Low frequency vibrational spectra and the nature of metal-oxygen bond of alkaline earth metal acetylacetonates

High-Entropy Oxide Derived from Metal–Organic Framework as a Bifunctional Electrocatalyst for Efficient Urea Oxidation and Oxygen Evolution Reactions

“…More importantly, the spectral peaks in the range of 500–700 cm –1 exhibited the metal–oxo bond (M–O) formation, revealing the coordination of metal ions with oxygen. , Except for the absorption band of M–O bonds, all other impure absorption peaks are absent in the FTIR spectra of HEOs. These results indicate the complete transformation of the pristine HE-MOFs to HEOs after the calcination process. , …”

“…These results indicate the complete transformation of the pristine HE-MOFs to HEOs after the calcination process. 44,45 The BET surface area examination demonstrates (Figures 1d and S2) that the synthesized HEO-800 possesses a large surface area of 206 m 2 g −1 and pore size of 3.05 nm, respectively. It is worth noting that this is the largest surface area of HEOs reported until now.…”

Asymmetry-enhanced 59Co NMR thermometry in Co(iii) complexes

“…Bands below 200 cm −1 are mainly related to torsional modes of methyl or alkyl groups and the chelating ring. 44…”

“…Bands below 200 cm −1 are mainly related to torsional modes of methyl or alkyl groups and the chelating ring. 44 Role of ligand asymmetry in 59 Co Δδ/ΔT. We compared Δδ/ ΔT to the vibrational partition functions, q Raman ‡ of 1-4 using the computed vibrations from the frequency calculations concerning only the Raman active modes (see ESI for the calculation details and Tables S8-S11 †).…”

Bonding in alkali and alkaline earth acetylacetonates

“…In a carefully designed quantum chemical study of alkaline earth acetylacetonates it has recently been shown [17] (a) that there is a decrease in the M-O bond order, bond length, and electronegativity, a decrease in acetylacetonate stability and covalency from Be to Ba complexes; (b) that there is an increase in iconicity from Be to Ba acetylacetonate complexes; (c) that the C=O bond order increases from Be(acac) 2 to Ba(acac) 2 ; and (d) that except for Be the IR spectra of all complexes are similar to each other. These trends are in agreement with our findings for both the alkali and alkaline earth acetylacetonate complexes.…”