Resonant electron capture negative ion mass spectrometry: the state of the art and the potential for solving analytical problems

The results of the study of resonant electron capture by molecules of 5-Br-2′-deoxyuridine (BrdUrd) over the range of electron energies from near zero to 14 eV are described. In the thermal energy range, long-lived molecular negative ions, unstable with respect to autoneutralization and dehalogenation, have been registered. Examination of the kinetics of these decay processes led us to the conclusion that the most probable structure for molecular negative ions is that with an extended C–Br bond, which was predicted earlier using quantum-chemical calculations. Estimates have shown that the BrdUrd molecule owns a significant electronic affinity of 0.93–1.38 eV. The most intense fragmentation channel leads to the abundant formation of Br− ions. The dissociative electron attachment cross section for Br− ions formation was estimated to amount to no less than 1.65 × 10−15 cm2, indirectly implying a fairly intense formation of complementary highly reactive deoxyuridine-5-yl particles. These particles are known to be responsible for the radiosensitizing properties of BrdUrd.

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Resonant electron capture by polycyclic aromatic hydrocarbon molecules: Effects of aza-substitution

Khatymov,

Muftakhov,

Tuktarov

et al. 2024

The Journal of Chemical Physics

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Resonant electron capture by aza and diaza derivatives of phenanthrene (7,8-benzoquinoline and 1,10-phenanthroline) and anthracene (acridine and phenazine) at incident free electron energies (Ee) in the range of 0–15 eV was studied. All compounds except 7,8-benzoquinoline form long-lived molecular ions (M−) at thermal electron energies (Ee ∼ 0 eV). Acridine and phenazine also form such ions at epithermal electron energies up to Ee = 1.5–2.5 eV. The lifetimes (τa) of M− with respect to electron autodetachment are proportional to the extent of aza-substitution and increase on going from molecules with bent geometry of the fused rings (azaphenanthrenes) to linear isomers (azaanthracenes). These regularities are due to an increase in the adiabatic electron affinities (EAa) of the molecules. The EAa values of the molecules under study were comprehensively assessed based on a comparative analysis of the measured τa values using the Rice–Ramsperger–Kassel–Marcus theory, the electronic structure analysis using the molecular orbital approach, as well as the density functional calculations of the total energy differences between the molecules and anions. The only fragmentation channel of M− ions from the compounds studied is abstraction of hydrogen atoms. When studying [M–H]− ions, electron autodetachment processes were observed, the τa values were measured, and the appearance energies were determined. A comparative analysis of the gas-phase acidity of the molecules and the EAa values of the [M–H]· radicals revealed their proportionality to the EAa values of the parent molecules.

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Resonant electron capture negative ion mass spectrometry: the state of the art and the potential for solving analytical problems

Cited by 4 publications

References 301 publications

Photolytic transformations of polychlorobiphenyls

Photolytic transformations of polychlorobiphenyls

Resonant electron capture by 5-Br-2′-deoxyuridine

Resonant electron capture by polycyclic aromatic hydrocarbon molecules: Effects of aza-substitution

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