Gas-phase electron-transfer equilibrium studies on tetraalkylhydrazines: geometry effects on ionization thermochemistry, relaxation energies, and ion solvation energies

1988 ◽  
Vol 110 (24) ◽  
pp. 7945-7952 ◽  
Author(s):  
Stephen F. Nelsen ◽  
Daniel T. Rumack ◽  
Michael. Meot-Ner
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Ion Solvation ◽  
Equilibrium Studies ◽  
Solvation Energies ◽  
Geometry Effects

Electron Transfer and Ligand Addition to Atomic Mercury Cations in the Gas Phase:  Kinetic and Equilibrium Studies at 295 K

2006 ◽  
Vol 45 (24) ◽  
pp. 9646-9653 ◽  
Author(s):  
Xiang Zhao ◽  
Eric Flaim ◽  
Lise Huynh ◽  
Michael J. Y. Jarvis ◽  
Ping Cheng ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Equilibrium Studies ◽  
Ligand Addition ◽  
Atomic Mercury

Gas-phase electrochemistry: Measuring absolute potentials and investigating ion and electron hydration

2011 ◽  
Vol 83 (12) ◽  
pp. 2129-2151 ◽  
Author(s):  
William A. Donald ◽  
Evan R. Williams
Keyword(s):  
Gas Phase ◽  
Ion Solvation ◽  
Water Molecules ◽  
Hydrogen Electrode ◽  
Half Cell ◽  
Hydration Enthalpy ◽  
A Value ◽  
Hydrated Ions ◽  
Solvation Energies ◽  
The University

In solution, half-cell potentials and ion solvation energies (or enthalpies) are measured relative to other values, thus establishing ladders of thermochemical values that are referenced to the potential of the standard hydrogen electrode (SHE) and the proton hydration energy (or enthalpy), respectively, which are both arbitrarily assigned a value of 0. In this focused review article, we describe three routes for obtaining absolute solution-phase half-cell potentials using ion nanocalorimetry, in which the energy resulting from electron capture (EC) by large hydrated ions in the gas phase are obtained from the number of water molecules lost from the reduced precursor cluster, which was developed by the Williams group at the University of California, Berkeley. Recent ion nanocalorimetry methods for investigating ion and electron hydration and for obtaining the absolute hydration enthalpy of the electron are discussed. From these methods, an absolute electrochemical scale and ion solvation scale can be established from experimental measurements without any models.

Gas-Phase Ionization Energetics, Electron-Transfer Kinetics, and Ion Solvation Thermochemistry of Decamethylmetallocenes, Chromocene, and Cobaltocene

1994 ◽  
Vol 13 (4) ◽  
pp. 1190-1199 ◽  
Author(s):  
Matthew F. Ryan ◽  
David E. Richardson ◽  
Dennis L. Lichtenberger ◽  
Nadine E. Gruhn
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Ion Solvation ◽  
Electron Transfer Kinetics

Electron affinities of aza-substituted polycyclic aromatic hydrocarbons

1989 ◽  
Vol 67 (10) ◽  
pp. 1628-1631 ◽  
Author(s):  
Glen W. Dillow ◽  
P. Kebarle
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Radical Anions ◽  
Electron Affinities ◽  
Reduction Potentials ◽  
Dilute Gas ◽  
Solvation Energies ◽  
Polycyclic Aromatic ◽  
Electron Reduction

Electron affinities for aza-substituted polycyclic aromatics were determined from measurements of electron transfer equilibria in the dilute gas phase with a pulsed electron high pressure mass spectrometer (PHPMS). These are (in kcal/mol): quinazoline (12.7), quinoxaline (15.8), cinnoline (16.0), acridine (20.3), benzo[c]cinnoline (20.6), pyrido[2,3-b]pyrazine (22.5), phenazine (29.5). Solvation energies of the corresponding radical anions in acetonitrile and dimethylformamide are derived from the gas phase data and literature on electron reduction potentials in solution. An observed linear relationship between the electron affinities and the reduction potentials allows estimates of electron affinities to be made for 12 aza compounds whose EA's are too low to be measured with the present method. Keywords: aza-substituted aromatic hydrocarbons, electron affinities, electron transfer, radical anions, reduction potentials, solvation energies of radical anions, stabilities of radical anions.

Ion solvation by dipolar aprotic solvents. An ab initio study

1987 ◽  
Vol 52 (1) ◽  
pp. 6-13 ◽  
Author(s):  
Petr Kyselka ◽  
Zdeněk Havlas ◽  
Ivo Sláma
Keyword(s):  
Ab Initio ◽  
Geometry Optimization ◽  
Molecular Structures ◽  
Dimethyl Sulphoxide ◽  
Ion Solvation ◽  
Interaction Energies ◽  
Ab Initio Study ◽  
Solvation Energies ◽  
Dipolar Aprotic Solvents ◽  
Complete Geometry Optimization

The paper deals with the solvation of Li+, Be2+, Na+, Mg2+, and Al3+ ions in dimethyl sulphoxide, dimethylformamide, acetonitrile, and water. The ab initio quantum chemical method was used to calculate the solvation energies, molecular structures, and charge distributions for the complexes water···ion, acetonitrile···ion, dimethyl sulphoxide···ion, and dimethylformamide···ion. The interaction energies were corrected for the superposition error. Complete geometry optimization was performed for the complex water···ion. Some generalizations are made on the basis of the results obtained.

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