Interstellar Benzene Formation Mechanisms via Acetylene Cyclotrimerization Catalyzed by Fe<sup>+</sup> Attached to Water Ice Clusters: Quantum Chemistry Calculation Study

Interstellar Benzene Formation Mechanisms via Acetylene Cyclotrimerization Catalyzed by Fe<sup>+</sup> Attached to Water Ice Clusters: Quantum Chemistry Calculation Study

Benzene is the simplest building block of polycyclic aromatic hydrocarbons and has previously been found in the interstellar medium. Several barrierless reaction mechanisms for interstellar benzene formation that may operate under low-temperature and low-pressure conditions in the gas phase have bee...

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Bibliographic Details
Main Authors: Tatsuhiro Murakami, Toshiyuki Takayanagi
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Molecules
Subjects:
interstellar medium
astrochemistry
reaction dynamics
polycyclic aromatic hydrocarbons
transition-metal catalysis
quantum chemistry calculation
Online Access:https://www.mdpi.com/1420-3049/27/22/7767

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https://www.mdpi.com/1420-3049/27/22/7767

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