Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT

Author:

Wibowo-Teale Meilani1ORCID,Huynh Bang C.1ORCID,Wibowo-Teale Andrew M.1ORCID,De Proft Frank2ORCID,Geerlings Paul2ORCID

Affiliation:

1. School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK

2. Research group of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050 Brussels, Belgium

Abstract

Fukui function for nucleophilic attack on H2CO in a parallel magnetic field showing a significantly reduced Bürgi–Dunitz angle.

Funder

Vrije Universiteit Brussel

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

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