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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 ...
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.
The NBOs for a resonance structure formula can then be, subsequently, calculated from the CHOOSE option. Operationally, there are three ways in which alternative resonance structures may be generated: (1) from the LEWIS option, considering the Wiberg bond indices; (2) from the delocalization list; (3) specified by the user. [1]
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 ...
The structure of an amide can be described also as a resonance between two alternative structures: neutral (A) and zwitterionic (B). It is estimated that for acetamide , structure A makes a 62% contribution to the structure, while structure B makes a 28% contribution (these figures do not sum to 100% because there are additional less-important ...
The cyanate ion is an anion with the chemical formula OCN −. It is a resonance of three forms: [O − −C≡N] (61%) ↔ [O=C=N −] (30%) ↔ [O + ≡C−N 2−] (4%). Cyanate is the derived anion of isocyanic acid, H−N=C=O, and its lesser tautomer cyanic acid (a.k.a. cyanol), H−O−C≡N.
It forms needle-like crystals with a monoclinic, herringbone-like structure. The most common polymorph is γ, but β form can also be produced in an applied magnetic field (ca. 1 Tesla) [ 8 ] or by phase transition from γ decreasing the temperature below 158 K. [ 14 ] The structure containing two C-H groups on one benzene ring, so-called DUO ...
Although the electronic structure according to valence bond theory can be written as H−N=C=O, the vibrational spectrum has a band at 2268.8 cm −1 in the gas phase, which some say indicates a carbon–nitrogen triple bond. [10] [11] If so, then the canonical form H−N + ≡C−O − is the major resonance structure.