Journal of Physical Chemistry B, Vol.117, No.34, 9996-10006, 2013
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 non-equilibrium 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.