Superhelicenes in the gas phase: experimental and computational evidence of stable radical cation dimers

Kinzelmann M, Reger D, Warmbrunn V, Lungerich D, Jux N, Drewello T (2023)

Publication Type: Journal article

Publication year: 2023

Journal

Chemical Communications Royal Society of Chemistry

DOI: 10.1039/d3cc01312j

Abstract

Electrospray-ionization mass spectrometry (ESI-MS) readily produces stable radical cation pi-dimers of the superhelicenes. Energy-resolved collision experiments reveal the dissociation of the dicationic dimer into two singly charged superhelicenes. DFT calculations indicate that open-shell dications composed of two radical cations are thermochemically more attractive than the closed-shell dimer formed by a doubly charged and a neutral superhelicene.

Authors with CRIS profile

Marina Kinzelmann Professur für Physikalische Chemie David Reger Lehrstuhl für Organische Chemie II Vera Warmbrunn Professur für Physikalische Chemie Norbert Jux Interdisziplinäres Zentrum für Molekulare Materialien Thomas Drewello Professur für Physikalische Chemie

Involved external institutions

Institute for Basic Science KR Korea, Republic of (KR)

How to cite

APA:

Kinzelmann, M., Reger, D., Warmbrunn, V., Lungerich, D., Jux, N., & Drewello, T. (2023). Superhelicenes in the gas phase: experimental and computational evidence of stable radical cation dimers. Chemical Communications. https://doi.org/10.1039/d3cc01312j

MLA:

Kinzelmann, Marina, et al. "Superhelicenes in the gas phase: experimental and computational evidence of stable radical cation dimers." Chemical Communications (2023).

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