X-Ray Diffraction and DFT Calculation Elucidation of the Jahn–Teller Effect Observed in Mn(dibenzoylmethanato)3

On the applicability of density functional theory to manganese‐based complexes with catalytic activity toward water oxidation

“…Tables and present the relative energy of each spin state for the different complexes and DFs. Experimental evidence shows that all these complexes are found in a high‐spin in their ground states, namely sextet for Mn(II) complexes ( 1 – 4 ) or quintet for Mn(III) ones ( 5 – 7 ) . Indeed, Mn‐complexese are usually found as high‐spin species.…”

“…Experimental evidence shows that all these complexes are found in a high-spin in their ground states, namely sextet for Mn(II) complexes (1)(2)(3)(4) or quintet for Mn(III) ones (5)(6)(7). [24][25][26][27][28] Indeed, Mn-complexese are usually found as high-spin species. As a result of that, the last column of both Tables 1 and 2 should be zero, indicating that the highest-spin state is the most stable one.…”

“…Mangan‐oxo ( 6 ) and mangan‐peroxo ( 7 ) compounds have been additionally included, as such species are believed to be important reaction intermediates during water oxidation. For all these compounds, their spin state and structure have been experimentally determined …”

“…For all these compounds, their spin state and structure have been experimentally determined. [24][25][26][27][28]…”

Synthesis, Characterization and Antifungal Activities of Some Novel Mixed Ligand Complexes of Manganese(III) g-Diketone

“…This is supported the global research interests in the studies of Mn(III) complexes [8][9][10][11][12][13]. Wide variety of high spin Mn(III) octahedral complexes are reported in literature [14][15][16][17][18]. Manganese(III) β-diketone complexes shows versatile catalytic behaviour [19][20][21][22][23][24] and are also used in the depolymerization of coal using humic acid, as a coal model compound [23] which has been tested by viscosity measurement method.…”