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The symmetry properties of molecular orbitals means that delocalization is an inherent feature of molecular orbital theory and makes it fundamentally different from (and complementary to) valence bond theory, in which bonds are viewed as localized electron pairs, with allowance for resonance to account for delocalization.
Molecular orbital theory was seen as a competitor to valence bond theory in the 1930s, before it was realized that the two methods are closely related and that when extended they become equivalent. Molecular orbital theory is used to interpret ultraviolet–visible spectroscopy (UV–VIS). Changes to the electronic structure of molecules can be ...
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.
Each circle represents an electron in an orbital; when light of a high enough frequency is absorbed by an electron in the HOMO, it jumps to the LUMO. 3D model of the highest occupied molecular orbital in CO 2 3D model of the lowest unoccupied molecular orbital in CO 2. In chemistry, HOMO and LUMO are types of molecular orbitals.
H 2 1sσ* antibonding molecular orbital. In theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei.
Asymmetry along the mirror plane will lead to a node in that plane and is described in the antibonding orbital, π*. [3] The MO diagram for butadiene. An example of a MO of a simple conjugated π system is butadiene. To create the MO for butadiene, the resulting π and π* orbitals of the previously described system will interact with each other.
The Slater-type orbital (STO) is a form without radial nodes but decays from the nucleus as does a hydrogen-like orbital. The form of the Gaussian type orbital (Gaussians) has no radial nodes and decays as e − α r 2 {\displaystyle e^{-\alpha r^{2}}} .
In the case of objects outside the Solar System, the ascending node is the node where the orbiting secondary passes away from the observer, and the descending node is the node where it moves towards the observer. [5], p. 137. The position of the node may be used as one of a set of parameters, called orbital elements, which