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  • Analytical Chemistry and Spectroscopy  (27)
  • Doubly-charged cations  (1)
  • Stabilities and reactivities  (1)
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  • 1
    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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  • 2
    Digitale Medien
    Digitale Medien
    Organic cluster ions from continuous-flow fast atom bombardment (1993)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 28 (1993), S. 595-606 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Cluster ions from fast atom bombardment of liquid alcohols and nitriles were examined using a continuous-flow technique. Protonated molecular MnH+ species are the dominant cluster ions observed in molecules of formula M. The abundances of the MnH+ cluster ions decrease monotonically with increasing n, and within a homologous series the MnH+ abundance diminishes more rapidly for higher molecular mass compounds. Reaction products (ROH)n(H2O)H+ and (ROH)n(ROR)H+ are observed also in the case of alcohols, and the ion abundances decrease with increasing n. Radiation damage yields fragment ions and ionic alkyl reaction products which are captured in solvent clusters. Semi-empirical molecular orbital methods were used to examine the energetics of cluster ion formation and decomposition pathways. Metastable decomposition processes exhibit only evaporative loss of monomers, with the probability of loss increasing sharply with n. The evaporative ensemble model of Klots was used to predict the cluster size-dependent trends of metastable dissociation processes observed for alcohol and nitrile cluster ions.
    Zusätzliches Material: 17 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210280522
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  • 3
    Digitale Medien
    Digitale Medien
    Enhanced specificity for aromatics using 2e mass spectrometry (1988)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 2 (1988), S. 210-212 
    Details
    ISSN: 0951-4198
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Physik
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/rcm.1290021007
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  • 4
    Digitale Medien
    Digitale Medien
    A molecular orbital description of aromatic cluster ions produced in continuous-flow fast atom bombardment (1995)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 30 (1995), S. 296-304 
    Details
    ISSN: 1076-5174
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: Cluster ions from the continuous-flow fast atom bombardment of several pure, liquid aromatics were examined. Most of the aromatics cluster as (M)n+; however, aromatic bases such as pyridine and aniline also form (M)nH+ ions. The abundance of both (M)n+ and (M)nH+ cluster ions decreases rapidly as n increases. The semi-empirical molecular orbital PM3 method was used to examine energetics of cluster ion formation, binding energies of several aromatic dimer ions and structures of stable cluster ions observed in the desorption process.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/jms.1190300211
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  • 5
    Digitale Medien
    Digitale Medien
    Letters to the editor (1982)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 17 (1982), S. 643-645 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210171211
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  • 6
    Digitale Medien
    Digitale Medien
    Doubly charged ion mass spectra: VI - Amines (1982)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 17 (1982), S. 627-635 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Doubly charged ion mass spectra of 22 amines (2-10 carbon atoms) were determined using an Hitachi RMU-7L double focusing mass spectrometer. Molecular ions were not observed in the spectra of aliphatic amines. The most intense product ion peaks in the spectra of lower molecular weight amines resulted from hydrogen elimination from the molecular ion; however, as amine molecular weight increased the largest peaks resulted from both hydrogen and heavy atom elimination from the molecular ion. Dominant ions in the doubly charged ion spectra of lower molecular weight aliphatic amines were from reactions of [CnH3N]2+ (n:=2, 3, 4) type ions. The spectra of higher molecular weight aliphatic amines spanned a wide mass range. Appearance energies for some of the more prominent ions were measured in the range from 25 to 49 eV. A geometry optimized quantum mechanical self-consistent field molecular orbital treatment was used to compute the energies and structural parameters of prominent ions in the doubly charged ion mass spectra.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210171208
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  • 7
    Digitale Medien
    Digitale Medien
    Doubly charged ion mass spectra of terpenes (1984)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 19 (1984), S. 524-527 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210191017
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  • 8
    Digitale Medien
    Digitale Medien
    Letters to the editor (1985)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 20 (1985), S. 530-537 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210200809
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  • 9
    Digitale Medien
    Digitale Medien
    Doubly charged ion mass spectra of organophosphorus compounds (1985)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 20 (1985), S. 343-350 
    Details
    ISSN: 0030-493X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Doubly charged ion mass spectra have been obtained for 11 organophosphorus compounds. Methane has been used as a target gas to increase the probability of single electron transfer collisions in the first field-free region of an Hitachi RMU-7L mass spectrometer. In general, the spectra of organophosphorus compounds do not exhibit molecular ions but are dominated by fragment ions, many of which must be formed by rearrangement processes. A geometry-optimized self-consistent field molecular orbital method has been employed to compute energies and structural parameters for prominent ions. In addition, a diabatic curve crossing model has been used to examine the single electron transfer reactions responsible for intense ions in the doubly charged ion mass spectra. Appearance energies measured for ions prominent in the 2E spectra of organophosphorus compounds have ranged from 23 to 38 eV.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/oms.1210200506
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  • 10
    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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