Fragmentation of imidazole, pyrimidine and purine induced by core ionization: Significance of small-scale chemical environment

[Display omitted] •Fragmentation patterns following core ionization are presented.•The fragmentation is characterized by the production of CH1,2N+ ions.•Effect of small-scale chemical environment on molecular fragmentation is considered.•The effect varies between samples and is very hard to predict....

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Published inJournal of photochemistry and photobiology. A, Chemistry. Vol. 356; pp. 283 - 289
Main Authors Itälä, E., Granroth, S., Ha, D.T., Kooser, K., Levola, H., Rachlew, E., Tanzer, K., Kukk, E.
Format Journal Article
LanguageEnglish
Published Lausanne Elsevier B.V 01.04.2018
Elsevier BV
Subjects
Biomolecules
Carbon
Cations
Chemical environment
Ejection
Environmental changes
Fragmentation
Functional groups
Hydrogen
Imidazole
Ionization
Molecular chains
Molecules
Organic chemistry
Thymine
Uracil
Biomolecules
Ionization
Chemical environment
Fragmentation
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Summary:[Display omitted] •Fragmentation patterns following core ionization are presented.•The fragmentation is characterized by the production of CH1,2N+ ions.•Effect of small-scale chemical environment on molecular fragmentation is considered.•The effect varies between samples and is very hard to predict. Fragmentation of imidazole, pyrimidine and purine into pairs of cations induced by carbon 1s core ionization was studied. All three molecules favor two-body fragmentation accompanied with a number of hydrogen ejections. In addition, also the formation of CH1,2N+ strongly characterizes the fragmentation of imidazole, pyrimidine and purine. As purine is a fusion of imidazole and pyrimidine rings, the measurements carried out also provided a possibility to study how the fragmentation changes when an isolated imidazole or pyrimidine molecule becomes a part of a larger structure. Furthermore, the previous studies on two pyrimidine derivatives, thymine and uracil, also provide an opportunity to see how the attachment of simple functional groups affect the fragmentation of pyrimidine. The results suggest that the fragmentation of pyrimidine is rather sensitive to any structural or environmental changes, unlike the fragmentation of imidazole.
ISSN:1010-6030
1873-2666
DOI:10.1016/j.jphotochem.2018.01.003