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  2. Benzene - Wikipedia

    en.wikipedia.org/wiki/Benzene

    The most widely practiced example of this reaction is the ethylation of benzene. Approximately 24,700,000 tons were produced in 1999. [ 73 ] Highly instructive but of far less industrial significance is the Friedel-Crafts alkylation of benzene (and many other aromatic rings) using an alkyl halide in the presence of a strong Lewis acid catalyst.

  3. Clar's rule - Wikipedia

    en.wikipedia.org/wiki/Clar's_rule

    Some such structures may contain aromatic π-sextets, namely groups of six π-electrons localized in a benzene-like moiety and separated by adjacent rings through C–C bonds. An aromatic π-sextet can be represented by a circle, as in the case of the anthracene molecule (below). Clar's rule states that for a benzenoid polycyclic aromatic ...

  4. Cumene process - Wikipedia

    en.wikipedia.org/wiki/Cumene_process

    This is followed by a step in which the phenyl group migrates from the benzyl carbon to the adjacent oxygen and a water molecule is lost, producing a resonance stabilized tertiary carbocation. The concerted mechanism of this step is similar to the mechanisms of the Baeyer–Villiger oxidation [ 6 ] and Criegee rearrangement reactions, and also ...

  5. Resonance (chemistry) - Wikipedia

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

    Contributing structures of the carbonate ion. In chemistry, resonance, also called mesomerism, is a way of describing bonding in certain molecules or polyatomic ions by the combination of several contributing structures (or forms, [1] also variously known as resonance structures or canonical structures) into a resonance hybrid (or hybrid structure) in valence bond theory.

  6. Molecular mechanics - Wikipedia

    en.wikipedia.org/wiki/Molecular_mechanics

    The most accurate way to solvate a system is to place explicit water molecules in the simulation box with the molecules of interest and treat the water molecules as interacting particles like those in the other molecule(s). A variety of water models exist with increasing levels of complexity, representing water as a simple hard sphere (a united ...

  7. Mechanochemistry - Wikipedia

    en.wikipedia.org/wiki/Mechanochemistry

    Mechanochemistry (or mechanical chemistry) is the initiation of chemical reactions by mechanical phenomena. Mechanochemistry thus represents a fourth way to cause chemical reactions, complementing thermal reactions in fluids, photochemistry, and electrochemistry. Conventionally mechanochemistry focuses on the transformations of covalent bonds ...

  8. Alkylbenzene - Wikipedia

    en.wikipedia.org/wiki/Alkylbenzene

    Gattermann-Koch reaction: named after German chemists Ludwig Gattermann and Julius Arnold Koch, the Gattermann-Koch reaction is a catalyzed formylation of alkylbenzenes with carbon monoxide and hydrochloric acid. [5] Alkylbenzene sulfonation reaction: electrophilic addition of a sulfonic acid group onto the aromatic ring. [4]

  9. Potassium permanganate - Wikipedia

    en.wikipedia.org/wiki/Potassium_permanganate

    The reagent is an alkaline solution of potassium permanganate. Reaction with double or triple bonds (R 2 C=CR 2 or R−C≡C−R) causes the color to fade from purplish-pink to brown. Aldehydes and formic acid (and formates) also give a positive test. [43] The test is antiquated. Baeyer's reagent reaction