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The electron affinity of molecules is a complicated function of their electronic structure. For instance the electron affinity for benzene is negative, as is that of naphthalene, while those of anthracene, phenanthrene and pyrene are positive. In silico experiments show that the electron affinity of hexacyanobenzene surpasses that of fullerene. [5]
Electron affinity can be defined in two equivalent ways. First, as the energy that is released by adding an electron to an isolated gaseous atom. The second (reverse) definition is that electron affinity is the energy required to remove an electron from a singly charged gaseous negative ion.
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The broad definition, used generally throughout history, is that chemical affinity is that whereby substances enter into or resist decomposition. [ 2 ] The modern term chemical affinity is a somewhat modified variation of its eighteenth-century precursor "elective affinity" or elective attractions, a term that was used by the 18th century ...
While Koopmans' theorem was originally stated for calculating ionization energies from restricted (closed-shell) Hartree–Fock wavefunctions, the term has since taken on a more generalized meaning as a way of using orbital energies to calculate energy changes due to changes in the number of electrons in a system.
The electron affinity (usually given by the symbol in solid state physics) gives the energy difference between the lower edge of the conduction band and the vacuum level of the semiconductor. The band gap (usually given the symbol E g {\displaystyle E_{\rm {g}}} ) gives the energy difference between the lower edge of the conduction band and the ...
Molecular binding is an attractive interaction between two molecules that results in a stable association in which the molecules are in close proximity to each other. It is formed when atoms or molecules bind together by sharing of electrons.
Sulfur is an insulator with a band gap of 2.6 eV, and a photoconductor meaning its electrical conductivity increases a million-fold when illuminated. Sulfur has a moderate ionisation energy (999.6 kJ/mol), high electron affinity (200 kJ/mol), and high electronegativity (2.58). It is a poor oxidising agent (S 8 + 2e − → H 2 S = 0.14 V at pH ...