Directed Gas-Phase Formation of Azulene (C₁₀H₈): Unraveling the Bottom-Up Chemistry of Saddle-Shaped Aromatics.

ABSTRACT: The azulene (C₁₀H₈) molecule, the simplest polycyclic aromatic hydrocarbon (PAH) carrying a fused seven- and five-membered ring, is regarded as a fundamental molecular building block of saddle-shaped carbonaceous nanostructures such as curved nanographenes in the interstellar medium. However, an understanding of the underlying gas-phase formation mechanisms of this nonbenzenoid 10π-Hückel aromatic molecule under low-temperature conditions is in its infancy. Here, by merging crossed molecular beam experiments with electronic structure calculations and molecular dynamics simulations, our investigations unravel an unconventional low-temperature, barrierless route to azulene via the reaction of the simplest organic radical, methylidyne (CH), with indene (C₉H

SUBMITTER: Yang Z 

PROVIDER: S-EPMC11869134 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature