Hydrogenated polycyclic aromatic hydrocarbons (HnPAHs) as catalysts for hydrogenation reactions in the interstellar medium: a quantum chemical model-Reference-Cited by-同舟云学术

Hydrogenated polycyclic aromatic hydrocarbons (HnPAHs) as catalysts for hydrogenation reactions in the interstellar medium: a quantum chemical model

Author:

Ferullo Ricardo M.¹²³⁴^ORCID,Zubieta Carolina E.¹²³⁴^ORCID,Belelli Patricia G.⁵³⁴^ORCID

Affiliation:

1. Departamento de Química

2. Universidad Nacional del Sur – INQUISUR (UNS, CONICET)

3. 8000 Bahía Blanca

4. Argentina

5. Grupo de Materiales y Sistemas Catalíticos – IFISUR (UNS, CONICET)

Abstract

Density functional studies show that neutral H_nPAHs are able to catalyze the formation of water with no activation barrier.

Funder

Agencia Nacional de Promoción Científica y Tecnológica

Secretaría General de Ciencia y Tecnología, Universidad Nacional del Sur

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference50 articles.

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2. Bending the rules of PAH hydrogenation: the case of corannulene;Monthly Notices of the Royal Astronomical Society;2023-01-13