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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    Molecular orbital diagram of dinitrogen. With nitrogen, we see the two molecular orbitals mixing and the energy repulsion. This is the reasoning for the rearrangement from a more familiar diagram. The σ from the 2p is more non-bonding due to mixing, and same with the 2s σ. This also causes a large jump in energy in the 2p σ* orbital.

  3. Diatomic carbon - Wikipedia

    en.wikipedia.org/wiki/Diatomic_carbon

    Diatomic carbon (systematically named dicarbon and 1λ2,2λ2-ethene), is a green, gaseous inorganic chemical with the chemical formula C=C (also written [C 2] or C 2). It is kinetically unstable at ambient temperature and pressure, being removed through autopolymerisation. It occurs in carbon vapor, for example in electric arcs; in comets ...

  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. HOMO and LUMO - Wikipedia

    en.wikipedia.org/wiki/HOMO_and_LUMO

    Each circle represents an electron in an orbital; when light of a high enough frequency is absorbed by an electron in the HOMO, it jumps to the LUMO. 3D model of the highest occupied molecular orbital in CO 2 3D model of the lowest unoccupied molecular orbital in CO 2. In chemistry, HOMO and LUMO are types of molecular orbitals.

  6. Woodward–Hoffmann rules - Wikipedia

    en.wikipedia.org/wiki/Woodward–Hoffmann_rules

    A molecular orbital correlation diagram correlates molecular orbitals of the starting materials and the product based upon conservation of symmetry. From a molecular orbital correlation diagram one can construct an electronic state correlation diagram that correlates electronic states (i.e. ground state, and excited states) of the reactants ...

  7. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. The MOT explains the paramagnetic nature of O 2, which valence bond theory cannot explain. In molecular orbital theory, electrons in a molecule are not ...

  8. Frontier molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Frontier_molecular_orbital...

    Theory. Fukui realized that a good approximation for reactivity could be found by looking at the frontier orbitals (HOMO/LUMO). This was based on three main observations of molecular orbital theory as two molecules interact: The occupied orbitals of different molecules repel each other. Positive charges of one molecule attract the negative ...

  9. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    Electron configuration. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1] For example, the electron configuration of the neon atom is 1s2 2s2 2p6, meaning that the 1s, 2s, and 2p subshells are occupied by ...