Related papers: Autoionization of water: does it really occur?
Temporal evolution of transient absorption spectra for pre-solvated electron (e-) generated by biphotonic (200 nm) ionization of liquid H2O and D2O has been studied on femto- and pico- second time scales. These spectra were obtained in the…
(Abridged) We present Herschel/HIFI spectra of the H2O 1113 GHz and H2O+ 1115 GHz lines toward five nearby prototypical starburst/AGN systems, and OH+ 971 GHz spectra toward three of these. The beam size of 20" corresponds to resolutions…
I have investigated the structural and dynamic properties of water by performing a series of molecular dynamic simulations in the range of temperatures from 213 K to 360 K, using the Simple Point Charge-Extended (SPC/E) model. I performed…
Despite widespread interest, a detailed understanding of the dynamics of proton transfer at interfaces is lacking. Here we use ab initio molecular dynamics to unravel the connection between interfacial water structure and proton transfer…
The picosecond geminate recombination kinetics for hydrated electrons generated by 200 nm two photon absorption (12.4 eV total energy) has been measured in both light and heavy water. The geminate kinetics are observed to be almost…
Autoionization, which results from the interference between direct photoionization and photoexcitation to a discrete state decaying to the continuum by configuration interaction, is a well known example of the important role of electron…
Proton transfer via hydronium and hydroxide ions in water is ubiquitous. It underlies acid-base chemistry, certain enzyme reactions, and even infection by the flu. Despite two-centuries of investigation, the mechanism underlying why…
This work describes experiments on thermal dynamics of pure H2O excited by hydrodynamic cavitation, which has been reported to facilitate the spin conversion of para- and ortho-isomers at water interfaces. Previous measurements by NMR and…
Using dielectric spectroscopy and differential scanning calorimetry, we have performed a detailed investigation of the influence of water uptake on the translational and reorientational glassy dynamics in the typical ionic liquid…
Observations of W51 with the Submillimeter Wave Astronomy Satellite (SWAS) have yielded the first detection of water vapor in a diffuse molecular cloud. The water vapor lies in a foreground cloud that gives rise to an absorption feature at…
We investigate the ionization of hydrogen in a dynamic Solar atmosphere. We show that the time scale for ionization/recombination can be estimated from the eigenvalues of a modified rate matrix where the optically thick Lyman transitions…
Electron transport is conventionally determined by the momentum-relaxing scattering of electrons by the host solid and its excitations. The electrical resistance is set by geometrical factors and the resistivity, which is a microscopic…
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…
Predicting the asymmetric structure and dynamics of solvated hydroxide and hydronium in water has been a challenging task from ab initio molecular dynamics (AIMD). The difficulty mainly comes from a lack of accurate and efficient…
The ionization potential distributions of hydrated hydroxide and hydronium are computed with many-body approach for electron excitations with configurations generated by {\it ab initio} molecular dynamics. The experimental features are well…
The transfer of a hydrated proton between water molecules in aqueous solution is accompanied by the large-scale structural reorganization of the environment as the proton relocates, giving rise to the Grotthus mechanism. The Zundel (H5O2+)…
Liquid water is one of the most studied substances, yet many of its properties are difficult to rationalize. The uniqueness of water is rooted in the dynamic network of hydrogen-bonded molecules with relaxation time constants of about one…
Plasma liquid interactions are important for a range of applications. For these, H$_2$O$_2$ and OH represent two key reactive species, whose concentrations in liquids need to be controlled for effective application outcomes. Here, a…
The open water surface is known to be charged. Yet, the magnitude of the charge and the physical mechanism of the charging remain unclear, causing heated debates across the scientific community. Here we directly measure the charge Q of…
The hydration structure of Ba^{2+} ion is important for understanding blocking mechanisms in potassium ion channels. Here, we combine statistical mechanical theory, ab initio molecular dynamics simulations, and electronic structure methods…