Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 117, Issue 21, Pages 11289-11298Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1918148117
Keywords
magnetic fields; ultrafast spectroscopy; aromatic ring currents
Categories
Funding
- National Science Foundation, MRI program [DMR-1229217]
- Princeton University through the Innovation Fund for New Ideas in the Natural Sciences
- National Science Foundation [DMR-1157490]
- European Community [655059]
- National Science Foundation - Institute for Complex Adaptive Matter (NSF-ICAM)
- Agencia Nacional de Promocion Cientifica y Tecnologica fondo para la Investigacion Cientifica y Tecnologica (ANPCyT-FONCyT) [PICT-2017-0795]
- US Department of Energy, Office of Science, Early Career Research Program [DE-SC0016269]
- National Science Foundation Graduate Research Fellowship [DGE-1656466]
- Princeton Environmental Institute Walbridge Fund
- State of Florida
- National Science Foundation through the Extreme Science and Engineering Discovery Environment [TG-CHE140097]
- Marie Curie Actions (MSCA) [655059] Funding Source: Marie Curie Actions (MSCA)
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The properties of organic molecules can be influenced by magnetic fields, and these magnetic field effects are diverse. They range from inducing nuclear Zeeman splitting for structural determination in NMR spectroscopy to polaron Zeeman splitting organic spintronics and organic magnetoresistance. A pervasive magnetic field effect on an aromatic molecule is the aromatic ring current, which can be thought of as an induction of a circular current of p-electrons upon the application of a magnetic field perpendicular to the p-system of the molecule. While in NMR spectroscopy the effects of ring currents on the chemical shifts of nearby protons are relatively well understood, and even predictable, the consequences of these modified electronic states on the spectroscopy of molecules has remained unknown. In this work, we find that photo-physical properties of model phthalocyanine compounds and their aggregates display clear magnetic field dependences up to 25 T, with the aggregates showing more drastic magnetic field sensitivities depending on the intermolecular interactions with the amplification of ring currents in stacked aggregates. These observations are consistent with ring currents measured in NMR spectroscopy and simulated in time-dependent density functional theory calculations of magnetic field-dependent phthalocyanine monomer and dimer absorption spectra. We propose that ring currents in organic semiconductors, which commonly comprise aromatic moieties, may present new opportunities for the understanding and exploitation of combined optical, electronic, and magnetic properties.
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