Non-covalent anion structures in dissociative electron attachment to some brominated biphenyls
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00552253" target="_blank" >RIV/61388955:_____/21:00552253 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0327382" target="_blank" >http://hdl.handle.net/11104/0327382</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/5.0074013" target="_blank" >10.1063/5.0074013</a>
Alternative languages
Result language
angličtina
Original language name
Non-covalent anion structures in dissociative electron attachment to some brominated biphenyls
Original language description
The present work combines experiment and theory to reveal the behavior of bromo-substituted-biphenyls after an electron attachment. We experimentally determine anion lifetimes using an electron attachment-magnetic sector mass spectrometer instrument. Branching ratios of dissociative electron attachment fragments on longer timescales are determined using the electron attachment-quadrupole mass spectrometer instrument. In all cases, fragmentation is low: Only the Br- and [M-Br]- ions are detected, and [M-H]- is observed only in the case of 4-Br-biphenyl and parent anion lifetimes as long as 165 μs are observed. Such lifetimes are contradictory to the dissociation rates of 2- and 4-bromobiphenyl, as measured by the pulse radiolysis method to be 3.2 × 1010 and >5 × 1010 s-1, respectively. The discrepancy is plausibly explained by our calculation of the potential energy surface of the dissociating anion. Isolated in vacuum, the bromide anion can orbit the polarized aromatic radical at a long distance. A series of local minima on the potential energy surface allows for a roaming mechanism prolonging the detection time of such weakly bound complex anions. The present results illuminate the behavior recently observed in a series of bromo-substituted compounds of biological as well as technological relevance.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
1089-7690
Volume of the periodical
155
Issue of the periodical within the volume
24
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
244302
UT code for WoS article
000767114500011
EID of the result in the Scopus database
2-s2.0-85122497039