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  2. 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 ...

  3. 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 ...

  4. Octet rule - Wikipedia

    en.wikipedia.org/wiki/Octet_rule

    Octet rule. The bonding in carbon dioxide (CO 2): all atoms are surrounded by 8 electrons, fulfilling the octet rule. The octet rule is a chemical rule of thumb that reflects the theory that main-group elements tend to bond in such a way that each atom has eight electrons in its valence shell, giving it the same electronic configuration as a ...

  5. HOMO and LUMO - Wikipedia

    en.wikipedia.org/wiki/HOMO_and_LUMO

    Diagram of the HOMO and LUMO of a molecule. 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

  6. Orbital hybridisation - Wikipedia

    en.wikipedia.org/wiki/Orbital_hybridisation

    Checked. In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory. For example, in a carbon atom which forms four ...

  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. Hypervalent molecule - Wikipedia

    en.wikipedia.org/wiki/Hypervalent_molecule

    Hypervalent molecule. In chemistry, a hypervalent molecule (the phenomenon is sometimes colloquially known as expanded octet) is a molecule that contains one or more main group elements apparently bearing more than eight electrons in their valence shells. Phosphorus pentachloride (PCl5), sulfur hexafluoride (SF6), chlorine trifluoride (ClF3 ...

  9. Carbon dioxide - Wikipedia

    en.wikipedia.org/wiki/Carbon_dioxide

    Carbon dioxide is the lasing medium in a carbon-dioxide laser, which is one of the earliest type of lasers. Carbon dioxide can be used as a means of controlling the pH of swimming pools, [141] by continuously adding gas to the water, thus keeping the pH from rising. Among the advantages of this is the avoidance of handling (more hazardous) acids.