Synthesis, structure and characterization of fac-[Re(CO)3]+ complexes derived from hydrazone Schiff bases: DFT–TDDFT investigation on electronic structures

Synthesis, structural characterization and electrochemical recognition of metal ions of two new ferrocenylhydrazone‐based receptors

“…In coordination chemistry, when ions attract ligands forming coordination compounds, the HOMO energy level of the ligands changes. [18] Therefore, ferrocene/ferrocenium (Fc/Fc + ) itself represents a strictly reversible one-electron redox couple, and the redox behavior is influenced by changing energy levels of the HOMO. [13] Therefore, ferrocene derivatives have been widely investigated in the field of electrochemistry and possible ionselective sensing applications reviewed.…”

Bis[N′-(2-pyridylmethylene-κN)benzohydrazide-κN′]bis(thiocyanato-κN)cobalt(II)

“…For metal complexes of the same Schiff base, see: Basak et al (2008); Chen et al (2005); Christidis et al (1999); Pal & Pal (2002); Paschalidis & Gdaniec (2004); Paschalidis et al (2000); Pelagatti et al (2000); Pouralimardan et al (2007); Ogata et al (2008).…”

Theoretical and experimental investigations on mono-substituted and multi-substituted functional polyhedral oligomeric silsesquioxanes

“…The computational modeling of the NMR parameter is also of abiding interest, and such calculation at DFT has emerged as a promising approach for the prediction of nuclear shielding and coupling constants of NMR active nuclei. [32][33][34][35][36] Thus, we have computed the proton, carbon and silicon NMR chemical shis using the gauge-independent atomic orbital (GIAO)-DFT method, [37][38][39] which is aimed at providing the denitive characterization of the title compounds. It is well-known that the GIAO method can yield very accurate result.…”