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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The other two p-orbitals, p y and p x, can overlap side-on. The resulting bonding orbital has its electron density in the shape of two lobes above and below the plane of the molecule. The orbital is not symmetric around the molecular axis and is therefore a pi orbital. The antibonding pi orbital (also asymmetrical) has four lobes pointing away ...

  3. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    Atomic orbitals are basic building blocks of the atomic orbital model (or electron cloud or wave mechanics model), a modern framework for visualizing submicroscopic behavior of electrons in matter. In this model, the electron cloud of an atom may be seen as being built up (in approximation) in an electron configuration that is a product of ...

  4. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    Molecular orbitals are said to be degenerate if they have the same energy. For example, in the homonuclear diatomic molecules of the first ten elements, the molecular orbitals derived from the p x and the p y atomic orbitals result in two degenerate bonding orbitals (of low energy) and two degenerate antibonding orbitals (of high energy). [13]

  5. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    The Hückel energy of the molecule is , where the sum is over all Hückel orbitals, is the occupancy of orbital i, set to be 2 for doubly-occupied orbitals, 1 for singly-occupied orbitals, and 0 for unoccupied orbitals, and is the energy of orbital i. Thus, the delocalization energy, conventionally a positive number, is defined as

  6. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Electrons in non-bonding orbitals tend to be associated with atomic orbitals that do not interact positively or negatively with one another, and electrons in these orbitals neither contribute to nor detract from bond strength. [16] Molecular orbitals are further divided according to the types of atomic orbitals they are formed from. Chemical ...

  7. Three-center four-electron bond - Wikipedia

    en.wikipedia.org/wiki/Three-center_four-electron...

    Figure 1: Diagram illustrating σ molecular orbitals of the triiodide anion. The σ molecular orbitals (MOs) of triiodide can be constructed by considering the in-phase and out-of-phase combinations of the central atom's p orbital (collinear with the bond axis) with the p orbitals of the peripheral atoms. [12]

  8. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    The empty f orbitals in lanthanum, actinium, and thorium contribute to chemical bonding, [26] [27] as do the empty p orbitals in transition metals. [ 28 ] Vacant s, d, and f orbitals have been shown explicitly, as is occasionally done, [ 29 ] to emphasise the filling order and to clarify that even orbitals unoccupied in the ground state (e.g ...

  9. Molecular model - Wikipedia

    en.wikipedia.org/wiki/Molecular_model

    The term, "molecular model" refer to systems that contain one or more explicit atoms (although solvent atoms may be represented implicitly) and where nuclear structure is neglected. The electronic structure is often also omitted unless it is necessary in illustrating the function of the molecule being modeled.