The kinetic isotope effects (KIEs) of ionic proton transfer between nitroethane and acetic acid in water have been studied by means of integral Feynman path integral free energy perturbation and umbrella sampling (PI-FEP/UM). In the current study, both were nuclear
The effects of mild base acetate on the luminescence properties of curcumin in methanol and ethanol were studied by steady-state and time-resolved emission techniques. We found steady-state emission intensity and mean fluorescence decay time
Acetic acid ion and its interesting solvated shell structure and kinetics
The asymmetric stretching of carboxylic acid groups near 1560 cm−1 in sodium acetate solution and 6M sodium chloride solution has been studied by linear and two-dimensional infrared spectroscopy. The linear infrared spectra show that the presence of a large amount of sodium chloride has no obvious interference on the center frequency and bandwidth of the carboxylate. Similarly, the frequency-frequency autocorrelation function extracted from the temporal evolution of the two-dimensional infrared spectrum reveals a dynamic component with a picosecond time constant that is also unaffected by the presence of high salt concentrations. The comparative study on the asymmetric stretching of azide ion shows that the vibration spectrum of acetate ions has little change in the presence of high concentration of sodium chloride, which is a phenomenon unique to acetic acid ion. Ab initio molecular dynamics simulations and frequency graphs confirm our experimental observations and relate the observed vibrations to the hydrogen bond structure and dynamics of the first solvated shell of acetic acid, which is controlled by the thermal rotation of its methyl group (-CH3).
