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  2. Clar's rule - Wikipedia

    en.wikipedia.org/wiki/Clar's_rule

    Clar's rule states that for a benzenoid polycyclic aromatic hydrocarbon (i.e. one with only hexagonal rings), the resonance structure with the largest number of disjoint aromatic π-sextets is the most important to characterize its chemical and physical properties. Such a resonance structure is called a Clar structure. In other words, a ...

  3. Resonance (chemistry) - Wikipedia

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

    Contributing structures of the carbonate ion. In chemistry, resonance, also called mesomerism, is a way of describing bonding in certain molecules or polyatomic ions by the combination of several contributing structures (or forms, [1] also variously known as resonance structures or canonical structures) into a resonance hybrid (or hybrid structure) in valence bond theory.

  4. Mesomeric effect - Wikipedia

    en.wikipedia.org/wiki/Mesomeric_effect

    In chemistry, the mesomeric effect (or resonance effect) is a property of substituents or functional groups in a chemical compound.It is defined as the polarity produced in the molecule by the interaction of two pi bonds or between a pi bond and lone pair of electrons present on an adjacent atom. [1]

  5. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    A valence bond structure resembles a Lewis structure, but when a molecule cannot be fully represented by a single Lewis structure, multiple valence bond structures are used. Each of these VB structures represents a specific Lewis structure. This combination of valence bond structures is the main point of resonance theory.

  6. Lewis structure - Wikipedia

    en.wikipedia.org/wiki/Lewis_structure

    Expressing resonance when drawing Lewis structures may be done either by drawing each of the possible resonance forms and placing double-headed arrows between them or by using dashed lines to represent the partial bonds (although the latter is a good representation of the resonance hybrid which is not, formally speaking, a Lewis structure ...

  7. Proton nuclear magnetic resonance - Wikipedia

    en.wikipedia.org/wiki/Proton_nuclear_magnetic...

    The total area of the 1 ppm CH 2 peak will be twice that of the 2.5 ppm CH peak. The CH 2 peak will be split into a doublet by the CH peak—with one peak at 1 ppm + 3.5 Hz and one at 1 ppm − 3.5 Hz (total splitting or coupling constant is 7 Hz). In consequence the CH peak at 2.5 ppm will be split twice by each proton from the CH 2. The first ...

  8. Natural resonance theory - Wikipedia

    en.wikipedia.org/wiki/Natural_Resonance_Theory

    [1] [3] Once NRT has generated a set of density operators, Γ α, for localized resonance structures, α, a least-squares variational functional is employed to quantify the resonance weights of each structure. [1] It does this by measuring the variational error, δ w, of the linear combination of resonance structures to the true density ...

  9. Pauling's principle of electroneutrality - Wikipedia

    en.wikipedia.org/wiki/Pauling's_principle_of...

    There are two possible structures for hydrogen cyanide, HCN and CNH, differing only as to the position of the hydrogen atom. The structure with hydrogen attached to nitrogen, CNH, leads to formal charges of -1 on carbon and +1 on nitrogen, which would be partially compensated for by the electronegativity of nitrogen and Pauling calculated the net charges on H, N and C as -0.79, +0.75 and +0.04 ...