The proton affinity of fluoroboroxine, FBO, is explored both experimentally and theoretically. Results of selected-ion flow tube measurements are reported for proton transfer reactions which place the proton affinity (PA) of FBO between those of ethylene and acetylene, PA(C2H4) > PA(FB0) > PA(C,H,), with PA(FB0) equal to 158 + 6kcalmoll’. FBOH’ is produced from the reaction of BF: with H,O and ...

A comprehensive conformational search and high-level composite ab initio computations provide benchmark proton affinities gas-phase basicities for glycine.

4,5-Dicyano-1H-[1,2,3]-Triazole (DCTz) exhibits a very low proton affinity. This makes it a possible water replacement for proton transport in high temperature polymer electrolyte membranes. A detailed investigation is carried out to define various physical properties as well as the proton transfer characteristics of DCTz. Thermogravimetric analysis showed that DCTz as well as DCTz salts are th...

We investigate the gas phase proton transfer reactivity of dianionic molybdenum oxysulfide clusters [Mo 2 O S 6 ] 2– and 5 in binary collisions an FT-ICR mass spectrometer combination with quantum chemical calculations. The reactions are probed a series acids increasing affinity, namely trifluoroacetic acid, difluoroacetic pyruvic acid formic acid. Proton followed by Coulomb explosion is observ...

Recently, the chemistry of element (0) compounds has attracted the attention of both experimental and theoretical chemists. In this article, some new Si(0) and Ge(0) compounds stabilized by different silylene and germylene ligands are studied theoretically by applying quantum chemical calculations and topography mapping of molecular electrostatic potential (MESP). These compounds are found to h...

The proton concentration in the medium affects the maximal velocity of sugar uptake with a K(m) of 0.3 mM (high affinity uptake). By decreasing the proton concentration a decrease in high affinity sugar uptake is observed, in parallel the activity of a low affinity uptake system (K(m) of 50 mM) rises. Both systems add up to 100%. The existence of the carrier in two conformational states (proton...

The proton concentration in the medium affects the maximal velocity of sugar uptake with a Km of 0.3 mM (high affinity uptake). By decreasing the proton concentration a decrease in high affinity sugar uptake is observed, in parallel the activity of a low affinity uptake system (K, of 50 mM) rises. Both systems add up to 100 %. The existence of the carrier in two conformational states (protonate...

Benchmark calculations of proton affinities and gas-phase basicities of molecules most relevant to biological phosphoryl transfer reactions are presented and compared with available experimental results. The accuracy of proton affinity and gas-phase basicity results obtained from several multi-level model chemistries (CBS-QB3, G3B3, and G3MP2B3) and density-functional quantum models (PBE0, B1B9...