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  • 1985-1989  (6)
  • 1920-1924
  • 1986  (6)
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Materialart
Erscheinungszeitraum
  • 1985-1989  (6)
  • 1920-1924
Jahr
Schlagwörter
  • 1
    Digitale Medien
    Digitale Medien
    Doubly-charged ion mass spectrometry of metallocenes (1986)
    s.l. : American Chemical Society
    Inorganic chemistry 25 (1986), S. 1510-1511 
    Details
    ISSN: 1520-510X
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1021/ic00229a046
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  • 2
    Digitale Medien
    Digitale Medien
    Doubly-charged gas phase cations (1986)
    Springer
    Theoretical chemistry accounts 69 (1986), S. 147-159 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Doubly-charged cations ; Stabilities and reactivities
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Unique features of doubly-charged stable organic ions are examined and the results correlated with experimental observations. Self-consistent field molecular orbital methods are used to compute structures and stabilities of CnH 2 2+ (n=2–9) ions which are prominent in electron impact ionization of hydrocarbon molecules. A simple curve crossing model is employed to rationalize charge transfer reactions of these ions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00527686
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  • 3
    Digitale Medien
    Digitale Medien
    Sensitivity of charge transfer reactions to hydrocarbon ion structures (1986)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 21 (1986), S. 137-149 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Charge transfer reactivities of hydrocarbon ions have been measured with time-of-flight techniques, and results correlated with theoretical structures computed by self-consistent field molecular orbital methods. Recombination energies, ion structures, heats of formation, reaction energetics and relative charge transfer cross-sections are presented for molecular and fragment ions produced by electron bombardment ionization of CH4, C2H4, C2H6, C3H8 and C4H10 molecules. Even-electron bridged cations have low ion recombination energies and relatively low charge transfer cross-sections as compared with odd-electron hydrocarbon cations.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210210308
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  • 4
    Digitale Medien
    Digitale Medien
    Polarizabilites of organic ions (1986)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 21 (1986), S. 449-450 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210210717
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  • 5
    Digitale Medien
    Digitale Medien
    Doubly-charged ethane ions: Solution to the dilemma of stability predicted by theory and instability observed in experiment (1986)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 21 (1986), S. 479-483 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Potential energy curves have been computed for [C2H6]2+ ions and the results used to interpret the conspicuous absence of these ions in 2E mass spectra and in charge-stripping experiments. The energies and structures of geometry-optimized ground-state singlet and excited-state triplet [C2H6]2+ ions have been determined along with energies for different decomposition barriers and dissociation asymptotes. Although singlet and triplet [C2H6]2+ ions can exist as stable entities, they possess low energy barriers to decomposition. Vertical Franck-Condon transitions, involving electron impact ionization of ethane as well as charge-stripping collisions of [C2H6]+ ions, produce [C2H6]2+ ions which promptly dissociate since they are formed with energies in excess of various decomposition barriers. Appearance energies computed for doubly-charged ethane fragment ions are in accordance with experimental values.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210210806
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  • 6
    Digitale Medien
    Digitale Medien
    Evidence for long-lived excited states of [CnH2]2+ carbodications (1986)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 21 (1986), S. 69-75 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The energetics, structures, stabilities and reactivities of[CnH2]2+ ions have been investigated using computational methods and experimental mass spectrometric techniques. Spontaneous decompositions of [CnH2]2+ into [CnH]+ + H+ products, observed for ions with odd-n values, have been explained by invoking the formation of excited triplet states. Even-n [CnH]+ ions possess triplet ground states with low-lying excited states, whereas odd-n ions have triplet states with energies several eV above ground singlet states. Radiationless transitions of vibrationally excited long-lived triplet state ions into singlet state continua are suggested as possible mechanisms for spontaneous deprotonation processes of odd-n [CnH2]2+ ions. Evidence for these long-lived excited states has been obtained in bimolecular single electron transfer reactions.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210210205
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