Solvation dynamics of formylperylene dissolved in methanol-acetonitrile liquid mixtures: a molecular dynamics study.
The solvation dynamics of formylperylene in methanol/acetonitrile liquid mixtures have been experimentally observed to slow down with increasing concentration of methanol. We present results from equilibrium and nonequilibrium molecular dynamics simulations that relate the slowdown to the formation of a hydrogen-bonded methanol oligomer, which is hydrogen-bonded to the carbonyl group of formylperylene.
Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109-1055, USA.
Kijeong
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Kwac
Eitan
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Geva