Romain, Sophie; Duboc, Carole; Neese, Frank; Riviere, Eric; Hanton, Lyall R.; Blackman, Allan G.; Philouze, Christian; Lepretre, Jean-Claude; Deronzier, Alain; Collomb, Marie-Noelle published the article 《An unusual stable mononuclear MnIII bis-terpyridine complex exhibiting Jahn-Teller compression: electrochemical synthesis, physical characterisation and theoretical study》. Keywords: trivalent manganese tolylterpyridine complex electrooxidative preparation Jahn Teller compression; crystal structure manganese tolylterpyridine complex; zero field splitting manganese tolylterpyridine complex.They researched the compound: 4-(p-Tolyl)-2,2:6,2-terpyridine( cas:89972-77-0 ).Category: catalyst-ligand. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:89972-77-0) here.
The mononuclear Mn bis-terpyridine complex [Mn(tolyl-terpy)2](X)3 (1(X)3; X = BF4, ClO4, PF6; tolyl-terpy = 4′-(4-methylphenyl)-2,2′:6′,2”-terpyridine), containing Mn in the unusual +III oxidation state, was isolated and characterized. The 13+ ion is a rare example of a mononuclear MnIII complex stabilized solely by neutral N ligands. Complex 13+ is obtained by electrochem. oxidation of the corresponding MnII compound 12+ in anhydrous MeCN. Under these conditions the cyclic voltammogram of 12+ exhibits not only the known MnII/MnIII oxidation at E1/2 = +0.91 V vs. Ag/Ag+ (+1.21 V vs. SCE) but also a 2nd metal-based oxidation process corresponding to MnIII/MnIV at E1/2 = +1.63 V (+1.93 V vs. SCE). Single crystals of 1(PF6)3·2MeCN were obtained by an electrocrystn. procedure. X-ray anal. unambiguously revealed its tetragonally compressed octahedral geometry and high-spin character. The electronic properties of 13+ were studied in detail by magnetic measurements and theor. calculations, from which a D value of +4.82 cm-1 was precisely determined D. functional and complete active space SCF ab initio calculations both correctly predict a pos. sign of D, in agreement with the compressed tetragonal distortion observed in the x-ray structure of 1(PF6)3·2MeCN. The different contributions to D were calculated, and (1) the spin-orbit coupling part (+2.593 cm-1) is predominant compared to the spin-spin interaction (+1.075 cm-1) and (2) the excited triplet states make the dominant contribution to the total D value.
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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI