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  2. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    The energy levels for cyclic systems can be predicted using the Frost circle mnemonic (named after the American chemist Arthur Atwater Frost ). A circle centered at α with radius 2β is inscribed with a regular N- gon with one vertex pointing down; the y -coordinate of the vertices of the polygon then represent the orbital energies of the [ N ...

  3. Hückel's rule - Wikipedia

    en.wikipedia.org/wiki/Hückel's_rule

    Hückel's rule. Benzene, the most widely recognized aromatic compound with six delocalized π-electrons (4 n + 2, for n = 1). In organic chemistry, Hückel's rule predicts that a planar ring molecule will have aromatic properties if it has 4 n + 2 π-electrons, where n is a non-negative integer. The quantum mechanical basis for its formulation ...

  4. Möbius–Hückel concept - Wikipedia

    en.wikipedia.org/wiki/Möbius–Hückel_concept

    To determine the energy levels, the polygon corresponding to the cyclic annulene is desired is inscribed in the circle of radius 2β and centered at α (the energy of an isolated p orbital). The y-coordinate of the vertices of the polygon are the simple Hückel theory orbital energies. For systems with Hückel topology, the vertex is positioned ...

  5. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    Basics. Molecular orbital diagrams are diagrams of molecular orbital (MO) energy levels, shown as short horizontal lines in the center, flanked by constituent atomic orbital (AO) energy levels for comparison, with the energy levels increasing from the bottom to the top. Lines, often dashed diagonal lines, connect MO levels with their ...

  6. Energy level - Wikipedia

    en.wikipedia.org/wiki/Energy_level

    t. e. A quantum mechanical system or particle that is bound —that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which ...

  7. Transition state theory - Wikipedia

    en.wikipedia.org/wiki/Transition_state_theory

    These so-called activation parameters give insight into the nature of a transition state, including energy content and degree of order, compared to the starting materials and has become a standard tool for elucidation of reaction mechanisms in physical organic chemistry. The free energy of activation, ΔG ‡, is defined in transition state ...

  8. Thermodynamic cycle - Wikipedia

    en.wikipedia.org/wiki/Thermodynamic_cycle

    A thermodynamic cycle consists of linked sequences of thermodynamic processes that involve transfer of heat and work into and out of the system, while varying pressure, temperature, and other state variables within the system, and that eventually returns the system to its initial state. [1] In the process of passing through a cycle, the working ...

  9. Atomic electron transition - Wikipedia

    en.wikipedia.org/wiki/Atomic_electron_transition

    In atomic physics and chemistry, an atomic electron transition (also called an atomic transition, quantum jump, or quantum leap) is an electron changing from one energy level to another within an atom [1] or artificial atom. [2] The time scale of a quantum jump has not been measured experimentally. However, the Franck–Condon principle binds ...