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Möbius (left) and Hückel (right) orbital arrays. The two orbital arrays in Figure 3 are just examples and do not correspond to real systems. In inspecting the Möbius one on the left, plus–minus overlaps are seen between orbital pairs 2-3, 3-4, 4-5, 5-6, and 6-1, corresponding to an odd number (5), as required by a Möbius system.
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 .
In contrast to the rarity of Möbius aromatic ground state molecular systems, there are many examples of pericyclic transition states that exhibit Möbius aromaticity. The classification of a pericyclic transition state as either Möbius or Hückel topology determines whether 4N or 4N + 2 electrons are required to make the transition state aromatic or antiaromatic, and therefore, allowed or ...
In 2011, Jordi Poater and Miquel Solà expanded the rule to open-shell spherical compounds, finding they were aromatic when they had 2n 2 + 2n + 1 π-electrons, with spin S = (n + 1/2) - corresponding to a half-filled last occupied energy level with the same spin. For instance C 60 1– is also observed to be aromatic with a spin of 11/2. [16]
It is common in many theoretical studies to use the extended Hückel molecular orbitals as a preliminary step to determining the molecular orbitals by a more sophisticated method such as the CNDO/2 method and ab initio quantum chemistry methods. Since the extended Hückel basis set is fixed, the monoparticle calculated wavefunctions must be ...
During a recent flight to San Juan, an airline passenger was asked to switch seats by three separate passengers as social media users chimed on Reddit about the indignity.
Erich Armand Arthur Joseph Hückel ForMemRS [1] (August 9, 1896, Berlin – February 16, 1980, Marburg) was a German physicist and physical chemist. [2] He is mainly known for the Debye–Hückel theory of electrolytic solutions and the Hückel method of approximate molecular orbital (MO) calculations on π electron systems.
A torus is an orientable surface The Möbius strip is a non-orientable surface. Note how the disk flips with every loop. The Roman surface is non-orientable.. In mathematics, orientability is a property of some topological spaces such as real vector spaces, Euclidean spaces, surfaces, and more generally manifolds that allows a consistent definition of "clockwise" and "anticlockwise". [1]