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In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory.
In chemistry, isovalent or second order hybridization is an extension of orbital hybridization, the mixing of atomic orbitals into hybrid orbitals which can form chemical bonds, to include fractional numbers of atomic orbitals of each type (s, p, d). It allows for a quantitative depiction of bond formation when the molecular geometry deviates ...
A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular.
Atomic orbitals are basic building blocks of the atomic orbital model (or electron cloud or wave mechanics model), a modern framework for visualizing submicroscopic behavior of electrons in matter. In this model, the electron cloud of an atom may be seen as being built up (in approximation) in an electron configuration that is a product of ...
Hybridization is a model that describes how atomic orbitals combine to form new orbitals that better match the geometry of molecules. Atomic orbitals that are similar in energy combine to make hybrid orbitals. For example, the carbon in methane (CH 4) undergoes sp 3 hybridization to form four equivalent orbitals, resulting in a tetrahedral shape.
The atomic orbitals used are typically those of hydrogen-like atoms since these are known analytically i.e. Slater-type orbitals but other choices are possible such as the Gaussian functions from standard basis sets or the pseudo-atomic orbitals from plane-wave pseudopotentials. Example of a molecular orbital diagram.
This is a weighted sum of the wavefunctions. Now choose a second hybrid orbital s + √ λ j p j, where p j is directed in some way and λ j is the amount of p character in this second orbital. The value of λ j and direction of p j must be determined so that the resulting orbital can be normalized and so that it is orthogonal to the first ...
Complete acetylene (H–C≡C–H) molecular orbital set. The left column shows MO's which are occupied in the ground state, with the lowest-energy orbital at the top. The white and grey line visible in some MO's is the molecular axis passing through the nuclei. The orbital wave functions are positive in the red regions and negative in the blue.