Vertical electron binding energy

L. D. Jacobson and J. M. Herbert,/. Chem. Phys., 133,154106 1-19 (2010). AOne-Electron Model for the Aqueous Electron that Includes Many-Body Electron-Water Polarization Bulk Equilibrium Structure, Vertical Electron Binding Energy, and Optical Absorption Spectrum. 

Figure 20-3. Electron binding energies for molecule M in anionic state are defined pictorially in a representation of the potential energy surfaces of the neutral molecule (M) and anion radical (M ) with the lowest vibration energy level shown for each. During a vertical process, the geometry remains unchanged but for the adiabatic process structural relaxation occurs. Thus the VDE (vertical detachment energy) and VEA (vertical electron affinity) represent the upper and lower bounds to the adiabatic electron affinity (AEA)...

Table 21-1. Values of stabilization energy (Estab), stabilization free energy (Gslab), their relative values (AE and AG calculated with respect to the Watson-Crickpair), electron vertical detachment energy (VDE) and adiabatic electron binding energy (EBE0) for the anionic adenine-thymine and 9-methyladenine-1-methylthymine complexes calculated at the B3LYP/6-31+G level. (Table 1 of ref. [49]. Reprinted with permission. Copyright 2005 American Chemical Society.)...

Figure 4. Comparison of the relative reactivity of iron clusters towards hydrogen (right hand scale and circles) with the electron binding energy (left hand scale and vertical lines) as a function of number of iron atoms in the cluster.

Tab. 17.1. The relative stability, vertical electron detachment energy, binding energy of CO (with O2 preadsorbed) and binding energy of O2 (with CO preadsorbed) for the five structures (a)-(e) ofAu2C03, shown in Figure 17.2C.

Binding energies and momentum distributions for electrons in the valence orbitals of CH4 have been presented 104 these are the first data obtained by the (e, 2e) reaction (electron-impact ionization with complete determination of the kinematics of the incident and emitted electrons) for a polyatomic molecule. The vertical I.P. s obtained for the lt2 and 2ai electrons of CH4 are compared with values from u.p.s. and photoionization studies in Table 6 the data derived from the three techniques are in satisfactory agreement. 

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