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  2. Multiplicity (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Multiplicity_(chemistry)

    Each has two electrons of opposite spin in the π* level so that S = 0 and the multiplicity is 2S + 1 = 1 in consequence. In the first excited state, the two π* electrons are paired in the same orbital, so that there are no unpaired electrons. In the second excited state, however, the two π* electrons occupy different orbitals with opposite spin.

  3. Hund's rule of maximum multiplicity - Wikipedia

    en.wikipedia.org/wiki/Hund's_Rule_of_Maximum...

    The manganese (Mn) atom has a 3d 5 electron configuration with five unpaired electrons all of parallel spin, corresponding to a 6 S ground state. [4] The superscript 6 is the value of the multiplicity , corresponding to five unpaired electrons with parallel spin in accordance with Hund's rule.

  4. Aufbau principle - Wikipedia

    en.wikipedia.org/wiki/Aufbau_principle

    For example, in copper 29 Cu, according to the Madelung rule, the 4s subshell (n + l = 4 + 0 = 4) is occupied before the 3d subshell (n + l = 3 + 2 = 5). The rule then predicts the electron configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 9 4s 2, abbreviated [Ar] 3d 9 4s 2 where [Ar] denotes the configuration of argon, the preceding noble gas.

  5. Electron diffraction - Wikipedia

    en.wikipedia.org/wiki/Electron_diffraction

    Close to an aperture or atoms, often called the "sample", the electron wave would be described in terms of near field or Fresnel diffraction. [12]: Chpt 7-8 This has relevance for imaging within electron microscopes, [1]: Chpt 3 [2]: Chpt 3-4 whereas electron diffraction patterns are measured far from the sample, which is described as far-field or Fraunhofer diffraction. [12]:

  6. Kohn–Sham equations - Wikipedia

    en.wikipedia.org/wiki/Kohn–Sham_equations

    The Kohn-Sham equations are a set of mathematical equations used in quantum mechanics to simplify the complex problem of understanding how electrons behave in atoms and molecules. They introduce fictitious non-interacting electrons and use them to find the most stable arrangement of electrons, which helps scientists understand and predict the ...

  7. Double bond - Wikipedia

    en.wikipedia.org/wiki/Double_bond

    In diplumbenes the Pb=Pb bond length can be longer than that of many corresponding single bonds [5] Plumbenes and stannenes generally dissociate in solution into monomers with bond enthalpies that are just a fraction of the corresponding single bonds. Some double bonds plumbenes and stannenes are similar in strength to hydrogen bonds. [4]

  8. Polyhedral skeletal electron pair theory - Wikipedia

    en.wikipedia.org/wiki/Polyhedral_skeletal...

    5 H 45, hydrogen atoms omitted. Example: [11] B 5 H 45. Electron count: 5 × B + 5 × H + 4 (for the negative charge) = 5 × 3 + 5 × 1 + 4 = 24 Since n = 5, 4n + 4 = 24, so the cluster is nido. Starting from an octahedron, one of the vertices is removed. The rules are useful in also predicting the structure of carboranes. Example: C 2 ...

  9. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    However, this is not supported by the facts, as tungsten (W) has a Madelung-following d 4 s 2 configuration and not d 5 s 1, and niobium (Nb) has an anomalous d 4 s 1 configuration that does not give it a half-filled or completely filled subshell. [15] The apparent paradox arises when electrons are removed from the transition metal atoms to ...