Hydroxonium Cation Research Articles

Study of the solid-state hydrogen isotope exchange ofl-alanine

The solid-state reaction of isotope exchange ofl-alanine (l-Ala) with spillover-hydrogen activated on a Rh(Pd)-supported catalyst was studied. The reactivity of the carbon atoms and the activation energies of isotope exchange of the hydrogen at the C(2) and C(3) atoms of thel-Ala molecule were determined using tritium NMR. Theab initio calculations of the activation energy of a model reaction between the alanine molecule and a hydroxonium cation were carried out. The mechanism and plausible structures of the transition states of this reaction were proposed.

Solvation of hydrochloric acid in protonated water clusters

The reactions of protonated water clusters H + (H 2O) n n ≈ 1–50, have been investigated in an FT-ICR instrument under single collision conditions. Collisions with ambient temperature argon result in fragmentation and eventually formation of the n = 4, hydrated hydroxonium cation. With hydrochloric acid the smaller clusters fragment, larger ones also exchange ligand. Clusters having n⩾ 11 can exchange one, and n ⩾ 17 two, water molecules for HCl. Implications for stratospheric chemistry are discussed.

Crystal and Molecular Structure of the s-fac-[Co((S)-Asp)(medien)]ClO4 . H2O . HClO4 Isomer

The crystal and molecular structure of s-fac-[Co((S)-Asp)(medien)]ClO4 . H2O . HClO4 was elucidated by the heavy atom method. The positional parameters of the nonhydrogen atoms and their anisotropic temperature parameters were refined based on 2 474 observed reflection with final values of R = 0.0603 and wR = 0.0616. The substance crystallized in the orthorhombic system in the space group P212121, Z = 4, a = 8.536(1), b = 13.378(1), c = 16.899(2) Å. The structure comprises layers of the complex cation which alternate with layers containing two perchlorate anions and one hydroxonium cation. The five-membered chelate ring of 4-methyl-1,4,7-triazaheptane exist in the asymmetric λ, δ envelope conformations and the N-CH3 group of the triamine has the exo orientation. The five-membered ring of (S)-aspartic acid assumes the symmetric envelope conformation, the six-membered chelate ring, the skew boat conformation.

Some aspects of the homogeneous (chemical) electron exchange near an interface

The influence of electrode on the homogeneous (chemical) electron transfer (ET) reaction occurring near it has been considered. Using the Langevin dipole (LD) method a model electron exchange reaction between a donor (aluminium atom) and an acceptor (hydroxonium cation) is investigated. The solvent (water) reorganization energies. ET activation energies and their different contributions have been calculated depending on the localization of this reaction pair regarding electrode. A catalytic effect of electrode on the ET homogeneous reaction occurring near it has been studied.