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  2. Cation–π interaction - Wikipedia

    en.wikipedia.org/wiki/Cation–π_interaction

    Heterocycles are often activated towards cation–π binding when the lone pair on the heteroatom is in incorporated into the aromatic system (e.g. indole, pyrrole). Conversely, when the lone pair does not contribute to aromaticity (e.g. pyridine), the electronegativity of the heteroatom wins out and weakens the cation–π binding ability.

  3. Hückel's rule - Wikipedia

    en.wikipedia.org/wiki/Hückel's_rule

    3) are considered examples of a two π electron system, which are stabilized relative to the open system, despite the angle strain imposed by the 60° bond angles. [11] [12] Planar ring molecules with 4n π electrons do not obey Hückel's rule, and theory predicts that they are less stable and have triplet ground states with two unpaired ...

  4. Radial distribution function - Wikipedia

    en.wikipedia.org/wiki/Radial_distribution_function

    calculation of () Radial distribution function for the Lennard-Jones model fluid at =, =.. In statistical mechanics, the radial distribution function, (or pair correlation function) () in a system of particles (atoms, molecules, colloids, etc.), describes how density varies as a function of distance from a reference particle.

  5. Antiaromaticity - Wikipedia

    en.wikipedia.org/wiki/Antiaromaticity

    [12]annulene is an antiaromatic hydrocarbon that is large enough to have protons both inside and outside of the ring. The chemical shift for the protons outside its ring is 5.91 ppm and that for the protons inside the ring is 7.86 ppm, compared to the normal range of 4.5-6.5 ppm for nonaromatic alkenes. This effect is of a smaller magnitude ...

  6. Anomeric effect - Wikipedia

    en.wikipedia.org/wiki/Anomeric_effect

    The α- and β-anomers of D-glucopyranose.. In organic chemistry, the anomeric effect or Edward-Lemieux effect (after J. T. Edward and Raymond Lemieux) is a stereoelectronic effect that describes the tendency of heteroatomic substituents adjacent to the heteroatom in the ring in, e.g., tetrahydropyran to prefer the axial orientation instead of the less-hindered equatorial orientation that ...

  7. Linnett double-quartet theory - Wikipedia

    en.wikipedia.org/wiki/Linnett_Double-Quartet_Theory

    The ELF analysis of ClF 3 indicates that there is a single toroidal-shaped basin at the 'back' of each fluorine atom, corresponding analogously to the three lone pairs arranged in a ring as generated for the HF molecule . This is in contrast with the Lewis structure which would place the fluorine lone pair electrons into discrete coincident pairs.

  8. Woodward–Hoffmann rules - Wikipedia

    en.wikipedia.org/wiki/Woodward–Hoffmann_rules

    Thermolysis converts 1 to (E,E) geometric isomer 2, but 3 to (E,Z) isomer 4.. The Woodward–Hoffmann rules (or the pericyclic selection rules) [1] are a set of rules devised by Robert Burns Woodward and Roald Hoffmann to rationalize or predict certain aspects of the stereochemistry and activation energy of pericyclic reactions, an important class of reactions in organic chemistry.

  9. Ring (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Ring_(chemistry)

    In chemistry, a ring is an ambiguous term referring either to a simple cycle of atoms and bonds in a molecule or to a connected set of atoms and bonds in which every atom and bond is a member of a cycle (also called a ring system). A ring system that is a simple cycle is called a monocycle or simple ring, and one that is not a simple cycle is ...