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The Hückel method or Hückel molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The theory predicts the molecular orbitals for π-electrons in π-delocalized molecules , such as ethylene , benzene , butadiene , and pyridine .
A diatomic molecular orbital diagram is used to understand the bonding of a diatomic molecule. MO diagrams can be used to deduce magnetic properties of a molecule and how they change with ionization. They also give insight to the bond order of the molecule, how many bonds are shared between the two atoms. [12]
The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.
In quantum mechanics, an atomic orbital (/ ˈ ɔːr b ɪ t ə l /) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the ...
where is a molecular orbital represented as the sum of n atomic orbitals , each multiplied by a corresponding coefficient , and r (numbered 1 to n) represents which atomic orbital is combined in the term. The coefficients are the weights of the contributions of the n atomic orbitals to the molecular orbital.
Diagram of the HOMO and LUMO of a molecule. 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
Electron atomic and molecular orbitals A Bohr diagram of lithium. 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]
Diagram showing how orbit-determination data was handled in a 1962 NASA mission. (Of historical interest only.) Orbit determination is the estimation of orbits of objects such as moons, planets, and spacecraft. One major application is to allow tracking newly observed asteroids and verify that they have not been previously discovered ...