Electron Scattering Cross Sections for Anthracene and Pyrene.


Journal

The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903

Informations de publication

Date de publication:
03 Sep 2020
Historique:
pubmed: 14 8 2020
medline: 14 8 2020
entrez: 14 8 2020
Statut: ppublish

Résumé

UK molecular R-matrix calculations have been carried out for electron scattering from anthracene and pyrene. These molecules belong to the family of polycyclic hydrocarbons (PAHs) and are found in a nebula known as the Red Rectangle. Static exchange (SE), static exchange plus polarization (SEP), and close coupling (CC) approximations are used for scattering calculations. Different elastic and inelastic cross sections are computed in the present work in the energy range of 0.1-15 eV. Dissociative electron attachment cross sections are also calculated for both the molecules. Various shape, Feshbach/core-excited, and mixed resonances are detected for these molecules below 10 eV. All of the resonances detected in the present study are in agreement with the existing experimental and theoretical results. Due to the complexity of the present targets, electron collision cross sections are essentially unknown and hence most of the results are presented for the first time.

Identifiants

pubmed: 32786972
doi: 10.1021/acs.jpca.0c05589
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

7088-7100

Auteurs

Suvam Singh (S)

Atomic and Molecular Physics Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, JH 826004, India.

Dhanoj Gupta (D)

Plasma Technology Research Center, National Fusion Research Institute, 37 Dongjangsan-ro, Gunsan, Jeollabuk-do 54004, South Korea.
Department of Particle Physics and Astrophysics, Weizmann Institute of Science, Rehovot 7610010, Israel.

Bobby Antony (B)

Atomic and Molecular Physics Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, JH 826004, India.

Maria Tudorovskaya (M)

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, U.K.

Jonathan Tennyson (J)

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, U.K.

Classifications MeSH