On an Ionic Approximation to Donor-Acceptor and Ion-Molecule Bonding, with Reference to Solvation Effects

1975 ◽  
Vol 30 (6-7) ◽  
pp. 845-854
Author(s):  
G.van Hooydonk
Keyword(s):  
Chemical Bonding ◽  
General Scheme ◽  
Ion Solvation ◽  
Electron Affinities ◽  
Neutral Species ◽  
Ionization Energies ◽  
Solvation Effects ◽  
Donor Acceptor ◽  
Molecule Interactions

Abstract An ionic, i. e. essentially electrostatic, approximation to donor-acceptor bonding between neutral species, ion-molecule interactions and corresponding solvation effects is forwarded. Drago's E-C equation for donor-acceptor reactions and the elimination of solvation procedure (ESP), presented by Drago et al., can consistently by incorporated in the general scheme. The theory yields further correct values for bulk ion-solvation enthalpies of cations H+,Li+,Na+,K+,Rb+ in water with the aid of ionization energies and electron affinities only. The formulae deduced for these types of chemical bonding represent the equivalent of the electronegativity-based theory for the description of ordinary chemical bonding between atoms, introduced earlier.

Radiation-induced surface decomposition

1983 ◽  
Vol 41 ◽  
pp. 368-369
Author(s):  
M. L. Knotek
Keyword(s):  
Ionizing Radiation ◽  
Atomic Structure ◽  
Chemical Bonding ◽  
Neutral Species ◽  
Radiation Induced ◽  
Physical And Chemical ◽  
Surface Decomposition ◽  
The Relationship ◽  
Electron And Photon ◽  
Surface Bond

Modern surface analysis is based largely upon the use of ionizing radiation to probe the electronic and atomic structure of the surfaces physical and chemical makeup. In many of these studies the ionizing radiation used as the primary probe is found to induce changes in the structure and makeup of the surface, especially when electrons are employed. A number of techniques employ the phenomenon of radiation induced desorption as a means of probing the nature of the surface bond. These include Electron- and Photon-Stimulated Desorption (ESD and PSD) which measure desorbed ionic and neutral species as they leave the surface after the surface has been excited by some incident ionizing particle. There has recently been a great deal of activity in determining the relationship between the nature of chemical bonding and its susceptibility to radiation damage.

Theoretical prediction of proton and electron affinities, gas phase basicities, and ionization energies of sulfinamides

2019 ◽  
Vol 31 (1) ◽  
pp. 411-421
Author(s):  
Masoumeh Ghahremani ◽  
Hamed Bahrami ◽  
Hamed Douroudgari ◽  
Morteza Vahedpour
Keyword(s):  
Theoretical Prediction ◽  
Gas Phase ◽  
Electron Affinities ◽  
Ionization Energies ◽  
Gas Phase Basicities

L. C. B. O.: An Easy Method to Predict Valence Ionization Energies. Application to Substituted Benzenes

1981 ◽  
Vol 36 (12) ◽  
pp. 1344-1351 ◽  
Author(s):  
Alberto Modelli ◽  
Giuseppe Distefano
Keyword(s):  
Conformational Analysis ◽  
Ionization Energy ◽  
Internal Standard ◽  
Electron Affinities ◽  
Easy Method ◽  
Simple Method ◽  
Substituted Benzenes ◽  
Ionization Energies ◽  
Monosubstituted Benzenes ◽  
Coulomb Integrals

AbstractThe linear combination bond orbitals (L.C.B.0.) MO treatment has been used to reproduce the π ionization energies of several ortho-, meta-and para-disubstituted benzenes. The Coulomb integral of the substituent π orbitals and their resonance integrals with the ring π orbitals have been obtained from the spectra of the corresponding monosubstituted benzenes, using the same procedure for all the compounds under examination. The ring Coulomb integrals have been chosen taking, as an internal standard, the experimental ionization energy value of the π[a2) orbital, non interacting by symmetry in the monosubstituted and in the para-disubstituted compounds. An application of this simple method to conformational analysis and to electron affinities is also shown.

Determination of the ionization energies and electron affinities of some dyes of photographic importance

1974 ◽  
Vol 19 (5) ◽  
pp. 215-225 ◽  
Author(s):  
Louis Gouverneur ◽  
Georges Leroy ◽  
Istvan Zador
Keyword(s):  
Electron Affinities ◽  
Ionization Energies
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