Arsole Aromaticity Revisited

M.   P.   Johansson; J.      Juselius

doi:10.2174/1570178054405968

Abstract

Using quantum chemical methodology, we reinvestigate the aromaticity of the much debated arsole, using the newly developed gauge-including magnetically induced currents (GIMIC) method. GIMIC provides a quantitative measure of the induced ring current strength, showing arsole to be moderately aromatic. Comparison is made with pyrrole, phosphole, and cyclopentadiene.

Keywords: aromaticity, arsenic, heterocycles, small ring systems, quantum chemistry

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Letters in Organic Chemistry

Title: Arsole Aromaticity Revisited

Volume: 2 Issue: 5

Author(s): M. P. Johansson and J. Juselius

Affiliation:

Keywords: aromaticity, arsenic, heterocycles, small ring systems, quantum chemistry

Abstract: Using quantum chemical methodology, we reinvestigate the aromaticity of the much debated arsole, using the newly developed gauge-including magnetically induced currents (GIMIC) method. GIMIC provides a quantitative measure of the induced ring current strength, showing arsole to be moderately aromatic. Comparison is made with pyrrole, phosphole, and cyclopentadiene.