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In chemistry, delocalized electrons are electrons in a molecule, ion or solid metal that are not associated with a single atom or a covalent bond. [1] The term delocalization is general and can have slightly different meanings in different fields: In organic chemistry, it refers to resonance in conjugated systems and aromatic compounds.
In the water molecule for example, ab initio calculations show bonding character primarily in two molecular orbitals, each with electron density equally distributed among the two O-H bonds. The localized orbital corresponding to one O-H bond is the sum of these two delocalized orbitals, and the localized orbital for the other O-H bond is their ...
Benzene, the most widely recognized aromatic compound with six delocalized π-electrons (4n + 2, for n = 1).. In organic chemistry, Hückel's rule predicts that a planar ring molecule will have aromatic properties if it has 4n + 2 π-electrons, where n is a non-negative integer.
Metallic solids are held together by a high density of shared, delocalized electrons, resulting in metallic bonding. Classic examples are metals such as copper and aluminum, but some materials are metals in an electronic sense but have negligible metallic bonding in a mechanical or thermodynamic sense (see intermediate forms).
This exercise generates the diagram at right (Figure 1). Three molecular orbitals result from the combination of the three relevant atomic orbitals, with the four electrons occupying the two MOs lowest in energy – a bonding MO delocalized across all three centers, and a non-bonding MO localized on the peripheral centers.
Oxidation state is an important index to evaluate the charge distribution within molecules. [2] The most common definition of oxidation state was established by IUPAC, [3] which let the atom with higher electronegativity takes all the bonding electrons and calculated the difference between the number of electrons and protons around each atom to assign the oxidation states.
In condensed matter physics, electrons are typically described with reference to a periodic lattice of atomic nuclei.Non-interacting electrons are therefore typically described by Bloch waves, which correspond to the delocalized, symmetry adapted molecular orbitals used in molecules (while Wannier functions correspond to localized molecular orbitals).
In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1] For example, the electron configuration of the neon atom is 1s 2 2s 2 2p 6 , meaning that the 1s, 2s, and 2p subshells are occupied by two, two, and six ...