Theoretical study of O yields X (S, Se, Te) coordination in organic compounds

Article Abstract:

Ab initio calculations have been performed for a group of 1,6-dioxa-6a-chalcogenopentalenes, beta-chalcogenovinylaldehydes, and bimolecular complexes of formaldehyde with chalcogen chlorides and hydrides. The calculations indicate existence of experimentally observed unusual structural aspects of the inter- and intramolecular O yielding chalcogen-attracting interactions that make the hypervalent T-shaped bond configuration more stable at a chalcogen atom. The interactions go up in the order S, Se, Te and go up with rising electronegativity of a substituent of the chalgogen center.

Observations, Organic compounds, Chemistry, Physical and theoretical, Physical chemistry

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Aromaticity and ring currents

Article Abstract:

The authors discuss the correlation of the ring currents notion with the idea of aromaticity. The connections between aromaticity and the ways in which a ring current manifests itself via anisotropy of magnetic susceptibility and exaltation of the magnetic susceptibility in bulk magnetism have been analyzed and discussed.

United Kingdom, Portugal, Anisotropy

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Cyclic aromatic systems with hypervalent centers

Article Abstract:

This review covers the theoretical concepts of aromaticity. The structural, magnetic and energetic criteria of aromaticity have been explored and discussed.

Russia, Heterocyclic compounds

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