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1.
Inorg Chem ; 57(1): 435-445, 2018 Jan 02.
Artículo en Inglés | MEDLINE | ID: mdl-29220166

RESUMEN

The electrochemical properties of a series of ruthenium complexes bearing the redox noninnocent bis(imino)pyridine ligand were investigated with cyclic voltammetry. An unexpected electrochemical feature in one of the complexes indicated a possible electrochemical-chemical-electrochemical (ECE) process. Further investigation into the oxidation mechanism included the synthesis and isolation of cationic and dicationic analogues of the complex. Density functional theory calculations suggested that a solvent interaction facilitated the ECE mechanism, so a solvent adduct was also synthesized and isolated. Calculations of this series of compounds were used to investigate the stabilizing role of the ligands over various oxidation states. As the overall charge of the complex was varied from anion to dication, a relatively constant Ru metal center oxidation state was found over all four states probed. This result suggests the strong involvement of the coligands in the redox behavior of the complexes investigated.

2.
Inorg Chem ; 57(12): 7036-7043, 2018 Jun 18.
Artículo en Inglés | MEDLINE | ID: mdl-29874060

RESUMEN

The binuclear complex {[N3]Ru(H)}2(µ-η1:η1-N2) ([N3] = 2,6-(ArylN═CMe)2C5H3N and Aryl = mesityl or xylyl) contains two formally Ru(I), d7 centers linked by a bridging dinitrogen ligand, although the odd electrons are substantially delocalized onto the redox non-innocent pincer ligands. The complex exhibits paramagnetic behavior in solution, but is diamagnetic in the solid state. This difference is attributed to intermolecular "π-stacking" observed in the solid state, which essentially couples unpaired electrons on each half of the complex to form delocalized 22-center-2-electron covalent bonds. Introduction of a bulky t-butyl group on the ligand pyridine ring prevents this intermolecular association and allows further investigation of the magnetic behavior and electronic structure of the binuclear species. The interaction of the unpaired electrons in the two halves of the complex has been probed with magnetic susceptibility and perpendicular and parallel mode EPR measurements, revealing a weakly antiferromagnetically coupled system with a thermally accessible triplet excited state. In addition, the mixed valent, S = 1/2, {[N3]Ru(H)}(µ-η1:η1-N2){[N3]Ru} system has also been observed via perpendicular mode EPR and was used to quantify the growth of the thermally accessible triplet state of the dihydride complex using parallel mode EPR.

3.
Chem Commun (Camb) ; 47(28): 8007-9, 2011 Jul 28.
Artículo en Inglés | MEDLINE | ID: mdl-21670803

RESUMEN

Using circular dichroism spectroscopy, we show evidence of unusual folding behaviour for several designed peptides in neat ionic liquid. Helical peptides, AKA(2) and Trp-cage, exhibit heat-induced folding, with stable helical structure persisting to 96 °C, whereas the ß-hairpin Trpzip4 is destabilized by the neat [C(4)mpy][Tf(2)N].


Asunto(s)
Líquidos Iónicos/farmacología , Péptidos/química , Pliegue de Proteína/efectos de los fármacos , Modelos Moleculares , Estructura Secundaria de Proteína , Pirroles/farmacología , Pirrolidinas
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