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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. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    A MO with δ symmetry results from the interaction of two atomic d xy or d x 2-y 2 orbitals. Because these molecular orbitals involve low-energy d atomic orbitals, they are seen in transition-metal complexes. A δ bonding orbital has two nodal planes containing the internuclear axis, and a δ* antibonding orbital also has a third nodal plane ...

  4. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    In butadiene the 4 π-electrons occupy 2 low energy molecular orbitals, out of a total of 4, and for benzene 6 energy levels are predicted, two of them degenerate. For linear and cyclic systems (with N atoms), general solutions exist: [9] Frost circle mnemonic for 1,3-cyclopenta-5-dienyl anion

  5. Hydroxyl radical - Wikipedia

    en.wikipedia.org/wiki/Hydroxyl_radical

    The • HO radical is linked with the production of H 2 O in molecular clouds. Studies of • HO distribution in Taurus Molecular Cloud-1 (TMC-1) [20] suggest that in dense gas, • HO is mainly formed by dissociative recombination of H 3 O +. Dissociative recombination is the reaction in which a molecular ion recombines with an electron and ...

  6. Superoxide - Wikipedia

    en.wikipedia.org/wiki/Superoxide

    Infobox references. In chemistry, a superoxide is a compound that contains the superoxide ion, which has the chemical formula O− 2. [1] The systematic name of the anion is dioxide (1−). The reactive oxygen ion superoxide is particularly important as the product of the one-electron reduction of dioxygen O2, which occurs widely in nature. [2]

  7. 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.

  8. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    e. 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 ...

  9. Hydroxide - Wikipedia

    en.wikipedia.org/wiki/Hydroxide

    The formula, Cu 2 CO 3 (OH) 2 shows that it is halfway between copper carbonate and copper hydroxide. Indeed, in the past the formula was written as CuCO 3 ·Cu(OH) 2. The crystal structure is made up of copper, carbonate and hydroxide ions. [37] The mineral atacamite is an example of a basic chloride. It has the formula, Cu 2 Cl(OH) 3.