Double aromaticity arising from σ- and π-rings
نویسندگان
چکیده
منابع مشابه
σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel.
The chemical importance of the linear response kernel from conceptual Density Functional Theory (DFT) is investigated for some σ and π aromatic and anti-aromatic systems. The effect of the ring size is studied by looking at some well known aromatic and anti-aromatic molecules of different sizes, showing that the linear response is capable of correctly classifying and quantifying the aromaticity...
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The NICSzz-scan curves of aromatic organic, inorganic and “all-metal” molecules in conjunction with symmetry-based selection rules provide efficient diagnostic tools of the σ-, πand/or double (σ + π)-aromaticity. The NICSzz-scan curves of σ-aromatic molecules are symmetric around the z-axis, having half-band widths approximately less than 3 Å with the induced diatropic ring current arising from...
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متن کاملOn Σ-v Rings
We discuss various properties of a ring over which each simple module is Σ-injective. We shall consider associative rings with identity. Our modules will be unital right modules unless stated otherwise. The class of right V rings was introduced by Villamayor [20]. A ring R is called a right V ring if each simple right Rmodule is injective. It is a well-known unpublished result due to Kaplansky ...
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ژورنال
عنوان ژورنال: Communications Chemistry
سال: 2018
ISSN: 2399-3669
DOI: 10.1038/s42004-018-0057-4