Pyrrole without Life: Reaction of Aminomethylene with the Propargyl Radical

Carbenes are reactive species found across gas-phase environments, from combustion to planetary atmospheres and interstellar space. Their reactions with radicals represent a compelling path to increasing chemical complexity, in which the formation of the first aromatic ring is a foundational step. To date, no selective gas-phase bottom-up route to the smallest nitrogen-bearing aromatic ring, pyrrole, is known. We investigated the reaction of the simplest aminocarbene, aminomethylene, with the prototypical resonance stabilized propargyl radical. Photoelectron photoion coincidence spectroscopy and semiautomated electronic structure calculations reveal a barrierless, addition-elimination mechanism producing pyrrole + H. The reaction path depends on the orientation of propargyl during the association, in which the allenyl resonance form (H<sub>2</sub>C═C═CH<sup>•</sup>) of propargyl leads to pyrrole formation. This selective pathway highlights the promise of radical chemistry to fill important gaps in chemical reaction networks.

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Journal
The Journal of Physical Chemistry Letters
Published
2026-02-04
DOI
https://doi.org/10.1021/acs.jpclett.5c03948
Primary Topic
Chemical Reactions and Mechanisms
Type
article
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article

Pyrrole without Life: Reaction of Aminomethylene with the Propargyl Radical

Rory McClish, Domenik Schleier, Jerry Kamer, Patrick Hemberger et al.
The Journal of Physical Chemistry Letters
Chemical Reactions and Mechanisms
article

Pyrrole without Life: Reaction of Aminomethylene with the Propargyl Radical

Rory McClish, Domenik Schleier, Jerry Kamer, Patrick Hemberger, Tina Kasper, Andras Bodi, Jordy Bouwman
article en

Abstract

Carbenes are reactive species found across gas-phase environments, from combustion to planetary atmospheres and interstellar space. Their reactions with radicals represent a compelling path to increasing chemical complexity, in which the formation of the first aromatic ring is a foundational step. To date, no selective gas-phase bottom-up route to the smallest nitrogen-bearing aromatic ring, pyrrole, is known. We investigated the reaction of the simplest aminocarbene, aminomethylene, with the prototypical resonance stabilized propargyl radical. Photoelectron photoion coincidence spectroscopy and semiautomated electronic structure calculations reveal a barrierless, addition-elimination mechanism producing pyrrole + H. The reaction path depends on the orientation of propargyl during the association, in which the allenyl resonance form (H<sub>2</sub>C═C═CH<sup>•</sup>) of propargyl leads to pyrrole formation. This selective pathway highlights the promise of radical chemistry to fill important gaps in chemical reaction networks.

The Journal of Physical Chemistry LettersVol. 17(7)
Leiden University (NL), Paderborn University (DE), Special Astrophysical Observatory (RU), Paul Scherrer Institute (CH), University of Colorado System (US), Laboratory for Atmospheric and Space Physics (US), Impact (CA), Institute for Disease Modeling (US), Technische Universität Berlin (DE)
Life below water
Openalex Percentile: Top 66%
Chemical Reactions and Mechanisms
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Pyrrole without Life: Reaction of Aminomethylene with the Propargyl Radical — Rory McClish, Domenik Schleier, et al. · The Journal of Physical Chemistry Letters (2026) | TGRS Research Map | TGRS