Formation of indium carbide cluster ions: experimental and computational study.
Identifieur interne : 000684 ( Main/Exploration ); précédent : 000683; suivant : 000685Formation of indium carbide cluster ions: experimental and computational study.
Auteurs : RBID : pubmed:23767764Abstract
We report the observation and structural analysis of novel indium carbide gas phase cluster ions generated by bombardment of a clean indium surface by keV C60(–) ions. Positive In(m)C(n)(+) (m = 1–21, 1 ≤ n ≤ 9) ions were ejected off the surface and analyzed mass spectrometrically. C60(–) ion beam irradiation is shown to be an efficient way of producing new kinds of gas phase carbide ions with relatively balanced stoichiometries. The rise kinetics of the ion signal (immediate jump within the beam opening time to a plateau value) indicates that the formation/ejection of the carbide ions constitute a single impact event. In3C2(+) was found to be the most abundant carbide cluster ion. Optimal geometries of the different clusters were derived via density functional theory calculations. The acetylenic/cumulenic nature of the impact emitted cluster ions is manifested by the high abundance of In2C2(+), In3C2(+), and the calculated structures for In(m)C(n)(+) (m = 3–4, n = 2–8). Odd/even intensity alternations in the In3C(n)(+) (n = 1–8) and In4C(n)(+) (n = 1–9) abundances are observed and rationalized by the calculations.
DOI: 10.1021/jp403031p
PubMed: 23767764
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Formation of indium carbide cluster ions: experimental and computational study.</title><author><name sortKey="Bernstein, Jonathan" uniqKey="Bernstein J">Jonathan Bernstein</name><affiliation wicri:level="1"><nlm:affiliation>Schulich Faculty of Chemistry , Technion, Haifa 32000, Israel.</nlm:affiliation><country xml:lang="fr">Israël</country><wicri:regionArea>Schulich Faculty of Chemistry , Technion, Haifa 32000</wicri:regionArea></affiliation></author><author><name sortKey="Armon, Eran" uniqKey="Armon E">Eran Armon</name></author><author><name sortKey="Zemel, Erez" uniqKey="Zemel E">Erez Zemel</name></author><author><name sortKey="Kolodney, Eli" uniqKey="Kolodney E">Eli Kolodney</name></author></titleStmt><publicationStmt><date when="2013">2013</date><idno type="doi">10.1021/jp403031p</idno><idno type="RBID">pubmed:23767764</idno><idno type="pmid">23767764</idno><idno type="wicri:Area/Main/Corpus">000575</idno><idno type="wicri:Area/Main/Curation">000575</idno><idno type="wicri:Area/Main/Exploration">000684</idno></publicationStmt></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">We report the observation and structural analysis of novel indium carbide gas phase cluster ions generated by bombardment of a clean indium surface by keV C60(–) ions. Positive In(m)C(n)(+) (m = 1–21, 1 ≤ n ≤ 9) ions were ejected off the surface and analyzed mass spectrometrically. C60(–) ion beam irradiation is shown to be an efficient way of producing new kinds of gas phase carbide ions with relatively balanced stoichiometries. The rise kinetics of the ion signal (immediate jump within the beam opening time to a plateau value) indicates that the formation/ejection of the carbide ions constitute a single impact event. In3C2(+) was found to be the most abundant carbide cluster ion. Optimal geometries of the different clusters were derived via density functional theory calculations. The acetylenic/cumulenic nature of the impact emitted cluster ions is manifested by the high abundance of In2C2(+), In3C2(+), and the calculated structures for In(m)C(n)(+) (m = 3–4, n = 2–8). Odd/even intensity alternations in the In3C(n)(+) (n = 1–8) and In4C(n)(+) (n = 1–9) abundances are observed and rationalized by the calculations.</div></front></TEI><pubmed><MedlineCitation Owner="NLM" Status="In-Process"><PMID Version="1">23767764</PMID><DateCreated><Year>2013</Year><Month>11</Month><Day>22</Day></DateCreated><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Electronic">1520-5215</ISSN><JournalIssue CitedMedium="Internet"><Volume>117</Volume><Issue>46</Issue><PubDate><Year>2013</Year><Month>Nov</Month><Day>21</Day></PubDate></JournalIssue><Title>The journal of physical chemistry. A</Title><ISOAbbreviation>J Phys Chem A</ISOAbbreviation></Journal><ArticleTitle>Formation of indium carbide cluster ions: experimental and computational study.</ArticleTitle><Pagination><MedlinePgn>11856-65</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1021/jp403031p</ELocationID><Abstract><AbstractText>We report the observation and structural analysis of novel indium carbide gas phase cluster ions generated by bombardment of a clean indium surface by keV C60(–) ions. Positive In(m)C(n)(+) (m = 1–21, 1 ≤ n ≤ 9) ions were ejected off the surface and analyzed mass spectrometrically. C60(–) ion beam irradiation is shown to be an efficient way of producing new kinds of gas phase carbide ions with relatively balanced stoichiometries. The rise kinetics of the ion signal (immediate jump within the beam opening time to a plateau value) indicates that the formation/ejection of the carbide ions constitute a single impact event. In3C2(+) was found to be the most abundant carbide cluster ion. Optimal geometries of the different clusters were derived via density functional theory calculations. The acetylenic/cumulenic nature of the impact emitted cluster ions is manifested by the high abundance of In2C2(+), In3C2(+), and the calculated structures for In(m)C(n)(+) (m = 3–4, n = 2–8). Odd/even intensity alternations in the In3C(n)(+) (n = 1–8) and In4C(n)(+) (n = 1–9) abundances are observed and rationalized by the calculations.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Bernstein</LastName><ForeName>Jonathan</ForeName><Initials>J</Initials><Affiliation>Schulich Faculty of Chemistry , Technion, Haifa 32000, Israel.</Affiliation></Author><Author ValidYN="Y"><LastName>Armon</LastName><ForeName>Eran</ForeName><Initials>E</Initials></Author><Author ValidYN="Y"><LastName>Zemel</LastName><ForeName>Erez</ForeName><Initials>E</Initials></Author><Author ValidYN="Y"><LastName>Kolodney</LastName><ForeName>Eli</ForeName><Initials>E</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType>Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2013</Year><Month>07</Month><Day>10</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Phys Chem A</MedlineTA><NlmUniqueID>9890903</NlmUniqueID><ISSNLinking>1089-5639</ISSNLinking></MedlineJournalInfo></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="aheadofprint"><Year>2013</Year><Month>7</Month><Day>10</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2013</Year><Month>6</Month><Day>18</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2013</Year><Month>6</Month><Day>19</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2013</Year><Month>6</Month><Day>19</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="doi">10.1021/jp403031p</ArticleId><ArticleId IdType="pubmed">23767764</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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