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The σ-π model differentiates bonds and lone pairs of σ symmetry from those of π symmetry, while the equivalent-orbital model hybridizes them. The σ-π treatment takes into account molecular symmetry and is better suited to interpretation of aromatic molecules ( Hückel's rule ), although computational calculations of certain molecules tend ...
Because proper (symmetry-adapted) molecular orbitals are fully delocalized and do not admit a ready correspondence with the "bonds" of the molecule, as visualized by the practicing chemist, the most common approach is to instead consider the interaction between filled and unfilled localized molecular orbitals that correspond to σ bonds, π ...
Molecules with multiple bonds or multiple lone pairs can have orbitals represented in terms of sigma and pi symmetry or equivalent orbitals. Different valence bond methods use either of the two representations, which have mathematically equivalent total many-electron wave functions and are related by a unitary transformation of the set of ...
Organic molecules are often cyclic compounds containing one or more rings, such as benzene, and are often made up of many sigma bonds along with pi bonds. According to the sigma bond rule, the number of sigma bonds in a molecule is equivalent to the number of atoms plus the number of rings minus one. N σ = N atoms + N rings − 1
In a symmetry group, the group elements are the symmetry operations (not the symmetry elements), and the binary combination consists of applying first one symmetry operation and then the other. An example is the sequence of a C 4 rotation about the z-axis and a reflection in the xy-plane, denoted σ(xy) C 4 .
Common bonding orbitals are sigma (σ) orbitals which are symmetric about the bond axis and pi (π) orbitals with a nodal plane along the bond axis. Less common are delta (δ) orbitals and phi (φ) orbitals with two and three nodal planes respectively along the bond axis. Antibonding orbitals are signified by the addition of an asterisk.
Two pi bonds are the maximum that can exist between a given pair of atoms. Quadruple bonds are extremely rare and can be formed only between transition metal atoms, and consist of one sigma bond, two pi bonds and one delta bond. A pi bond is weaker than a sigma bond, but the combination of pi and sigma bond is stronger than either bond by itself.
The type of interaction between atomic orbitals can be further categorized by the molecular-orbital symmetry labels σ (sigma), π (pi), δ (delta), φ (phi), γ (gamma) etc. These are the Greek letters corresponding to the atomic orbitals s, p, d, f and g respectively.