Publication: Quantum dynamics of C7N- and C10H- anions in collision with H2 at interstellar medium conditions
| dc.contributor.coauthor | Giri, K. | |
| dc.contributor.coauthor | Lourderaj, U. | |
| dc.contributor.coauthor | Rana, S. | |
| dc.contributor.coauthor | González-Sánchez, L. | |
| dc.contributor.coauthor | Daria, A. M. Santa | |
| dc.contributor.coauthor | Sathyamurthy, N. | |
| dc.contributor.coauthor | Wester, R. | |
| dc.contributor.coauthor | Gianturco, F. A. | |
| dc.contributor.department | Department of Chemistry | |
| dc.contributor.kuauthor | Yurtsever, İsmail Ersin | |
| dc.contributor.schoolcollegeinstitute | College of Sciences | |
| dc.date.accessioned | 2025-12-31T08:23:39Z | |
| dc.date.available | 2025-12-31 | |
| dc.date.issued | 2025 | |
| dc.description.abstract | We present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N- and C10H-, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed. | |
| dc.description.fulltext | Yes | |
| dc.description.harvestedfrom | Manual | |
| dc.description.indexedby | WOS | |
| dc.description.indexedby | Scopus | |
| dc.description.indexedby | PubMed | |
| dc.description.publisherscope | International | |
| dc.description.readpublish | N/A | |
| dc.description.sponsoredbyTubitakEu | N/A | |
| dc.description.sponsorship | European Regional Development Fund; Castilla y León Supercomputing Center; Ministerio de Ciencia e Innovación; Universität Innsbruck | |
| dc.identifier.doi | 10.1063/5.0292750 | |
| dc.identifier.embargo | No | |
| dc.identifier.issue | 16 | |
| dc.identifier.pubmed | 41147505 | |
| dc.identifier.quartile | Q2 | |
| dc.identifier.scopus | 2-s2.0-105019964718 | |
| dc.identifier.uri | https://doi.org/10.1063/5.0292750 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14288/31744 | |
| dc.identifier.volume | 163 | |
| dc.identifier.wos | 001604686500001 | |
| dc.keywords | Energy transfer | |
| dc.keywords | Molecular physics | |
| dc.keywords | Negative ions | |
| dc.keywords | Potential energy | |
| dc.keywords | Potential energy surfaces | |
| dc.keywords | Rigid rotors | |
| dc.language.iso | N/A | |
| dc.publisher | AIP Publishing | |
| dc.relation.affiliation | Koç University | |
| dc.relation.collection | Koç University Institutional Repository | |
| dc.relation.ispartof | Journal of Chemical Physics | |
| dc.relation.openaccess | Yes | |
| dc.rights | CC BY-NC-ND (Attribution-NonCommercial-NoDerivs) | |
| dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.subject | Chemistry | |
| dc.subject | Physics | |
| dc.subject | Molecular and chemical | |
| dc.title | Quantum dynamics of C7N- and C10H- anions in collision with H2 at interstellar medium conditions | |
| dc.type | Journal Article | |
| dspace.entity.type | Publication | |
| person.familyName | Yurtsever | |
| person.givenName | İsmail Ersin | |
| relation.isOrgUnitOfPublication | 035d8150-86c9-4107-af16-a6f0a4d538eb | |
| relation.isOrgUnitOfPublication.latestForDiscovery | 035d8150-86c9-4107-af16-a6f0a4d538eb | |
| relation.isParentOrgUnitOfPublication | af0395b0-7219-4165-a909-7016fa30932d | |
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