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Theoretical Chemistry Accounts

, Volume 118, Issue 1, pp 89–97 | Cite as

Magnetotropicity of phosphole and its arsenic analogue

  • Stefano Pelloni
  • Paolo LazzerettiEmail author
Regular Article

Abstract

Spatial ring current models for the phosphole molecule and its arsenic parent have been constructed. Diatropism of these molecules is quite peculiar and fundamentally different from that of benzene as shown by stagnation graphs of current density field. Maps of shielding density are helpful for interpreting the effect of electronic currents on nuclear shielding. Constrained planarity increases the degree of diatropicity quantitatively specified by magnetic descriptors, which implies that ring currents go together with π-electron distortivity.

Keywords

Chem Phys Ring Current Phosphole Current Density Vector Stagnation Line 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag 2007

Authors and Affiliations

  1. 1.Dipartimento di ChimicaUniversità degli Studi di Modena e Reggio EmiliaModenaItaly

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