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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The first excited state has both HOMO electrons paired in one orbital with opposite spins, and is known as singlet oxygen. MO diagram of dioxygen triplet ground state. The bond order decreases and the bond length increases in the order O + 2 (112.2 pm), O 2 (121 pm), O − 2 (128 pm) and O 2− 2 (149 pm). [20]

  3. Excited state - Wikipedia

    en.wikipedia.org/wiki/Excited_state

    Atoms can be excited by heat, electricity, or light. The hydrogen atom provides a simple example of this concept.. The ground state of the hydrogen atom has the atom's single electron in the lowest possible orbital (that is, the spherically symmetric "1s" wave function, which, so far, has been demonstrated to have the lowest possible quantum numbers).

  4. Molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Molecular_geometry

    Molecular geometry is determined by the quantum mechanical behavior of the electrons. Using the valence bond approximation this can be understood by the type of bonds between the atoms that make up the molecule. When atoms interact to form a chemical bond, the atomic orbitals of each atom are said to combine in a process called orbital ...

  5. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    The orbital wave functions are positive in the red regions and negative in the blue. The right column shows virtual MO's which are empty in the ground state, but may be occupied in excited states. In chemistry, a molecular orbital (/ ɒr b ə d l /) is a mathematical function describing the location and wave-like behavior of an electron in a ...

  6. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    The molecular orbital diagram for the final state describes the electronic nature of the molecule in an excited state. Although in MO theory some molecular orbitals may hold electrons that are more localized between specific pairs of molecular atoms, other orbitals may hold electrons that are spread more uniformly over the molecule.

  7. Seesaw molecular geometry - Wikipedia

    en.wikipedia.org/wiki/Seesaw_molecular_geometry

    The seesaw geometry occurs when a molecule has a steric number of 5, with the central atom being bonded to 4 other atoms and 1 lone pair (AX 4 E 1 in AXE notation). An atom bonded to 5 other atoms (and no lone pairs) forms a trigonal bipyramid with two axial and three equatorial positions, but in the seesaw geometry one of the atoms is replaced ...

  8. Franck–Condon principle - Wikipedia

    en.wikipedia.org/wiki/Franck–Condon_principle

    In examining how much vibrational energy a molecule could acquire when it is excited to a higher electronic level, and whether this vibrational energy could be enough to immediately break apart the molecule, he drew three diagrams representing the possible changes in binding energy between the lowest electronic state and higher electronic ...

  9. Selection rule - Wikipedia

    en.wikipedia.org/wiki/Selection_rule

    In a fundamental vibration, the molecule is excited from its ground state (v = 0) to the first excited state (v = 1). The symmetry of the ground-state wave function is the same as that of the molecule. It is, therefore, a basis for the totally symmetric representation in the point group of the molecule. It follows that, for a vibrational ...