2H and 1H NMR Relaxation Studies of Substances Involved in Electron Transfer

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In this project in the Experimental Physical Chemistry Program of the Chemistry Division, Regitze Vold will examine spin relaxation and molecular dynamics in solid and semisolid systems. NMR pulse techniques, lineshape simulation programs, and relaxation theory developed under previous NSF funding will be extended and applied to molecular dynamic processes, including electron- and proton-transfer reactions. Paramagnetic inorganic and bioinorganic compounds relevant to the dynamics of electron transfer and spin-crossover processes will be studied with deuterium quadrupole echo and double quantum lineshapes. The location, ordering, and dynamics of ubiquinone in oriented and unoriented membrane model systems will be determined, as well as the dynamics of trapped alkanes and carboxylic acids and amidines. %%% The wide variety of experiments undertaken in this project will help explain how molecular and lattice dynamics in condensed phase materials affect phenomena in transition metal complexes, bimetallic compounds, metalloproteins, such as simple iron porphyrins, and the coenzyme ubiquinone. These will help elucidate diverse mechanisms such as electron transfer between hemes, oxidative phosphorylation in inner mitochondrial membrane, and photosynthesis and the respiratory chain in mitochondria.