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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.
Anderson's rule states that when constructing an energy band diagram, the vacuum levels of the two semiconductors on either side of the heterojunction should be aligned (at the same energy). [1] It is also referred to as the electron affinity rule, and is closely related to the Schottky–Mott rule for metal–semiconductor junctions.
In chemistry, a nucleophile is a chemical species that forms bonds by donating an electron pair. All molecules and ions with a free pair of electrons or at least one pi bond can act as nucleophiles. Because nucleophiles donate electrons, they are Lewis bases. Nucleophilic describes the affinity of a nucleophile to bond with positively charged ...
Near-Hartree–Fock calculations with a large basis set indicate that the 1π u bonding orbital is the HOMO. However the lowest ionization energy corresponds to removal of an electron from the 3σ g bonding orbital. In this case the deviation is attributed primarily to the difference in correlation energy between the two orbitals. [11]
The orbital wave functions are positive in the red regions and negative in the blue. The right column shows virtual MO's which are empty in the ground state, but may be occupied in excited states. In chemistry, a molecular orbital (/ ɒr b ə d l /) is a mathematical function describing the location and wave-like behavior of an electron in a ...
The electron–positron annihilation process is the physical phenomenon relied on as the basis of positron emission tomography (PET) and positron annihilation spectroscopy (PAS). It is also used as a method of measuring the Fermi surface and band structure in metals by a technique called Angular Correlation of Electron Positron Annihilation ...
The higher the proton affinity, the stronger the base and the weaker the conjugate acid in the gas phase.The (reportedly) strongest known base is the ortho-diethynylbenzene dianion (E pa = 1843 kJ/mol), [3] followed by the methanide anion (E pa = 1743 kJ/mol) and the hydride ion (E pa = 1675 kJ/mol), [4] making methane the weakest proton acid [5] in the gas phase, followed by dihydrogen.