Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs

Abstract

Three new manganese carbonyl compounds with heavy atom donors were synthesized and their potential use as photoCORMS was evaluated.

Synthesis, characterization and photoinduced CO-release by manganese(i) complexes

“…Similar results were already reported by our 72 group. 49 The bonds and angles are summarized in Table 1 and 73 are compatible with values described in the literature for similar 74 tricarbonyl compounds. 50,51 75 76…”

“…In dichloromethane the compounds lose the CO with no defined intermediate, in acetonitrile, all compounds form a third and lower intensity band around 1870-1850 cm -1 , associated with the formation of a biscarbonyl intermediate. 49,53,54,56 The relative low intensity of the biscarbonyl intermediate may be due to fast oxidation of the compounds once they begin to lose the CO, as previously reported. 47,55 On comparing the relative areas after photoexcitation, all compounds lose all three CO molecules in both media.…”

Generalized Kohn‐Sham energy decomposition analysis and its applications

“…Metal‐ligand interactions play important roles in nanocrystals, molecular recognition, drug design, metalloprotein chemistry, and so on. Both GKS‐EDA and LMO‐EDA have been employed in the interpretations of various metal‐ligand interactions, which are not trivial tasks due to the inherent complexity of the arrangement of electrons in d‐ and f‐metal‐atom orbitals coupled with the various ligands.…”

“…Amorim et al studied Mn 2+ ‐CO ligand interactions in three different manganese metal carbonyl compounds . As displayed in Figure , each compound contains three carbonyl ligands on one side, while the remaining ligands, bromide ion, and η 2 sulfur‐ or selenium‐containing ligand link to the trans‐site relative to the carbonyl ligands.…”

“…The GKS‐EDA results at the BP86‐D3/def‐SVP level for MnCO bonds in three manganese metal carbonyl compounds, [1], [2], and [3] …”