Potential interstellar molecules. Formation of neutral C6CO from C6CO in the gas phase

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dc.contributor.authorDua, S.
dc.contributor.authorBlanksby, S.
dc.contributor.authorBowie, J.
dc.date.issued1999
dc.description.abstractComputations at the RCCSD(T)/aug-cc-pVDZ//B3LYP/6-31G* level of theory indicate that neutral C(6)CO is a stable species. The ground state of this neutral is the singlet cumulene oxide :C=C=C=C=C=C=C=O. The adiabatic electron affinity and dipole moment of singlet C(6)CO are 2.47 eV and 4.13 D, respectively, at this level of theory. The anion (C(6)CO)-* should be a possible precursor to this neutral. It has been formed by an unequivocal synthesis in the ion source of a mass spectrometer by the S(N)2(Si) reaction between (CH(3))(3)Si-C(triple bond)C-C(triple bond)C-C(triple bond)C-CO-CMe(3) and F(-) to form (-)C(triple bond)C-C(triple bond)C-C(triple bond)C-CO-Me(3) which loses Me(3)C* in the source to form C(6)CO(-)*. Charge stripping of this anion by vertical Franck-Condon oxidation forms C(6)CO, characterised by the neutralisation-reionisation spectrum (-NR(+)) of C(6)CO(-*), which is stable during the timeframe of this experiment (10(-6) s).
dc.description.statementofresponsibilityDua, Suresh; Blanksby, Stephen J.; Bowie, John H.
dc.identifier.citationRapid Communications in Mass Spectrometry, 1999; 14(2):118-121
dc.identifier.doi10.1002/(SICI)1097-0231(20000130)14:2<118::AID-RCM848>3.3.CO;2-Q
dc.identifier.issn0951-4198
dc.identifier.issn1097-0231
dc.identifier.urihttp://hdl.handle.net/2440/4842
dc.language.isoen
dc.publisherJOHN WILEY & SONS LTD
dc.subjectAnions
dc.subjectOxides
dc.subjectCarbon
dc.subjectExtraterrestrial Environment
dc.subjectOxidation-Reduction
dc.subjectMass Spectrometry
dc.titlePotential interstellar molecules. Formation of neutral C6CO from C6CO in the gas phase
dc.typeJournal article
pubs.publication-statusPublished

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