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Updated: Oct 26, 2025

Microwave-assisted Intramolecular Dehydrogenative Diels-Alder Reactions for the Synthesis of Functionalized Naphthalenes/Solvatochromic Dyes
Published on: April 1, 2013
Magnetically induced ring currents in naphthalene-fused heteroporphyrinoids
Markus Rauhalahti1, Dage Sundholm, Mikael P Johansson
1University of Helsinki, Department of Chemistry, Faculty of Science, P.O. Box 55 (A.I. Virtanens Plats 1), FI-00014 Helsinki, Finland. Markus.Rauhalahti@helsinki.fi Dage.Sundholm@helsinki.fi.
Abstract:
The magnetically induced current density of an intriguing naphthalene-fused heteroporphyrin has been studied, using the quantum-chemical, gauge-including magnetically induced currents (GIMIC) method. The ring-current strengths and current-density pathways for the heteroporphyrin, its Pd complex, and the analogous quinoline-fused heteroporphyrin provide detailed information about their aromatic properties. The three porphyrinoids have similar current-density pathways and are almost as aromatic as free-base porphyrin. Notably, we show that the global ring current makes a branch at three specific points. Thus, the global current is composed of a total of eight pathways that include 22 π-electrons, with no contributions from 18-electron pathways.
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