Publication:
On the formation of interstellar CH- anions: exploring mechanism and rates for CH2 reacting with H

dc.contributor.coauthorSatta, M.
dc.contributor.coauthorWester, R.
dc.contributor.coauthorGianturco, F.A.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-09T13:06:58Z
dc.date.issued2020
dc.description.abstractWe present accurate ab initio calculations on the structural properties of a gas-phase reaction of possible interest for Saturn's outer atmosphere chemistry, in which the CH2 molecule has been detected. In the present study, that molecule is made to react with the H- anion to form the CH- species, one considered as a possible intermediate in ionic processes networks. The results indicate that this reaction is markedly exothermic and proceeds with the formation of an intermediate, which occurs via only a shallow barrier below the reagents and progresses directly to the product region. The corresponding rate coefficients of reactions are also computed by making use of the variational transition state theory modeling and found to efficiently lead to the formation of the final anion even at the lower temperatures of interstellar medium conditions.
dc.description.fulltextYES
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.indexedbyPubMed
dc.description.issue25
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.sponsorshipAustrian Science Fund (FWF)
dc.description.versionPublisher version
dc.description.volume124
dc.identifier.doi10.1021/acs.jpca.0c02412
dc.identifier.embargoNO
dc.identifier.filenameinventorynoIR02286
dc.identifier.issn1520-5215
dc.identifier.quartileN/A
dc.identifier.scopus2-s2.0-85087111199
dc.identifier.urihttps://hdl.handle.net/20.500.14288/2529
dc.identifier.wos545664900007
dc.keywordsReaction coordinate
dc.keywordsChemistry
dc.keywordsSpectroscopy
dc.keywordsMolecules
dc.keywordsClouds
dc.keywordsC6H
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.grantnoI2920-N27
dc.relation.ispartofThe Journal of Physical Chemistry A
dc.relation.urihttp://cdm21054.contentdm.oclc.org/cdm/ref/collection/IR/id/8924
dc.subjectChemistry
dc.subjectPhysics
dc.titleOn the formation of interstellar CH- anions: exploring mechanism and rates for CH2 reacting with H
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorYurtsever, İsmail Ersin
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemistry
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