molecular orbital theory


molecular orbital theory,

detailed explanation of how electrons are distributed in stable moleculesmolecule
[New Lat.,=little mass], smallest particle of a compound that has all the chemical properties of that compound. A single atom is usually not referred to as a molecule, and ionic compounds such as common salt are not made up of molecules.
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. In the simpler valence theory of the chemical bondchemical bond,
mechanism whereby atoms combine to form molecules. There is a chemical bond between two atoms or groups of atoms when the forces acting between them are strong enough to lead to the formation of an aggregate with sufficient stability to be regarded as an
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, each atomatom
[Gr.,=uncuttable (indivisible)], basic unit of matter; more properly, the smallest unit of a chemical element having the properties of that element. Structure of the Atom
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 in a molecule is assumed to retain its own electrons. Even when electrons are shared, as in the covalent bond, it is possible to identify which electron came from which atom. The molecular orbital theory, however, treats each electron as associated with the molecule as a whole. Just as a free atom has certain allowed electron orbits and energies, each molecule has its own allowed molecular orbitals. The orbitals give the probability of finding the electron at any point in space. Each orbital can hold a maximum of two valence electrons and the structure of the molecule is built up by filling the lowest energy orbitals first. The calculations involved are extremely complex, and only the simplest molecules can be treated exactly.