منابع مشابه
On the Dimensionality of Aromaticity Criteria
A plausible explanation for the contradictory results published by several groups on the dimensionality of the concept of aromaticity is found. We demonstrate that the good linear relationships between the molar diamagnetic exaltation (Λ) and the resonance energy (RE) of heteroaromatic compounds is not fundamental, but only a consequence of the strong correlation of both properties with the mol...
متن کاملMöbius Aromaticity : Which Side Are You on ?
INTRODUCTION The idea of Möbius aromaticity was first proposed by Heilbronner in 1964. He postulated that a molecule could gain Möbius aromatic stabilization if the nuclear framework were twisted so the porbitals composing the π-system would contain an odd number of nodes. To introduce a node in the orbitals, Heilbronner theorized that a series of p-orbitals could itself be twisted by contortin...
متن کاملAromaticity Alexandru
Aromaticity has been lately in the center of attention of chemists with books [1-3], journal special issues [4-10], reviews [11, 12], and publications (these are too numerous to cite). The discoveries of fullerenes, nanotubes, nanocones, and nanotori as well as the recent techniques for obtaining graphene sheets with monatomic thickness and astounding properties have enlarged our views about th...
متن کاملShannon entropy as a new measure of aromaticity, Shannon aromaticity.
Based on the local Shannon entropy concept in information theory, a new measure of aromaticity is introduced. This index, which describes the probability of electronic charge distribution between atoms in a given ring, is called Shannon aromaticity (SA). Using B3LYP method and different basis sets (6-31G**, 6-31+G** and 6-311++G**), the SA values of some five-membered heterocycles, C(4)H(4)X, a...
متن کاملAromaticity in cyanuric acid
This study analyzes the aromatic nature of cyanuric acid (hexahydrotriazine) and some of its derivatives, in terms of aromatic stabilization energy (ASE) and electronic behavior. The simplest molecule (C(3)N(3)O(3)H(3)) is the most aromatic item out of the entire set, but some of the others also display aromatic character. The structure of all the rings is analyzed considering their molecular o...
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ژورنال
عنوان ژورنال: Nature
سال: 1973
ISSN: 0028-0836,1476-4687
DOI: 10.1038/242589c0