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  2. Bond order - Wikipedia

    en.wikipedia.org/wiki/Bond_order

    The bond order itself is the number of electron pairs (covalent bonds) between two atoms. [3] For example, in diatomic nitrogen N≡N, the bond order between the two nitrogen atoms is 3 (triple bond). In acetylene H–C≡C–H, the bond order between the two carbon atoms is also 3, and the C–H bond order is 1 (single bond).

  3. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_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. The bond order of diatomic nitrogen is three, and it is a diamagnetic molecule. [12] The bond order for dinitrogen (1σ g 2 1σ u 2 2σ g 2 2σ u 2 1π u 4 3σ g 2) is three because two electrons are now ...

  4. VSEPR theory - Wikipedia

    en.wikipedia.org/wiki/VSEPR_theory

    The bond angle for water is 104.5°. Valence shell electron pair repulsion (VSEPR) theory (/ ˈ v ɛ s p ər, v ə ˈ s ɛ p ər / VESP-ər, [1]: 410 və-SEP-ər [2]) is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. [3]

  5. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    From bond order, one can predict whether a bond between two atoms will form or not. For example, the existence of He 2 molecule. From the molecular orbital diagram, the bond order is () =. That means, no bond formation will occur between two He atoms which is seen experimentally.

  6. Bent's rule - Wikipedia

    en.wikipedia.org/wiki/Bent's_rule

    Bent's rule implies that bond angles will deviate from the bond angle predicted by VSEPR theory; the relative electronegativities of atoms surrounding the central atom will impact the molecule geometry. [5] VSEPR theory suggests a way to accurately predict molecule shape using simple rules. [13]

  7. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    This is more than the naive π-bond order of (for a total bond order of ) that one might guess when simply considering the Kekulé structures and the usual definition of bond order in valence bond theory. The Hückel definition of bond order attempts to quantify any additional stabilization that the system enjoys resulting from delocalization.

  8. Walsh diagram - Wikipedia

    en.wikipedia.org/wiki/Walsh_diagram

    Walsh Diagram of an HAH molecule. Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital binding energies of a molecule versus a distortion coordinate (bond angles), used for making quick predictions about the geometries of small molecules.

  9. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    This is called a covalent bond. The bond order is equal to the number of bonding electrons minus the number of antibonding electrons, divided by 2. In this example, there are 2 electrons in the bonding orbital and none in the antibonding orbital; the bond order is 1, and there is a single bond between the two hydrogen atoms. [citation needed]