The Pennsylvania State University
Chemistry
Solidsolid phase transitions of the odd n-alkanes n-C17H36 through n-C29H60 were studied by using differential scanning calorimetry (DSC) and infrared (IR) spectroscopy. Two phase transitions were found in C25, C2,, and C29 in addition to... more
Data from the optical Kerr effect, time-resolved Stokes shift, and dielectric dispersion experiments on 21 common room temperature solvents are collected and compared. The correlation functions of the collective variables (polarizability,... more
U-shaped donor-bridge-acceptor molecules with different electronic couplings have been investigated as a function of temperature in solvents with slow polarization relaxation, in particular, N-methylacetamide (NMA) and... more
Molecular dynamics simulations of CO(2)-expanded cyclohexane, acetonitrile, and methanol are reported at various compositions along the experimental bubble-point curve at 298 K. Simulated properties include energies, local compositions,... more
Polar solvents often exert a dramatic influence on reactions in solution. Equilibrium aspects of this influence involve differential solvation of reactants compared to the transition state that lead to alteration of the free-energy... more
Diffusion coefficients of a variety of dilute solutes in the series of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imides ([Prn1][Tf2N], n = 3, 4, 6, 8, and 10), trihexyltetracedecylphosphonium... more