4-Bromobiphenyl: Long-lived molecular anion formation and competition between electron detachment and dissociation

Asfandiarov, N. L.; Pshenichnyuk, S. A.; Rakhmeev, R. G.; Туктаров, Р. Ф.; Зайцев, Н. Л.; Воробьев, А. С.; Kočišek, Jaroslav; Fedor, Juraj; Modelli, Alberto

doi:10.1063/1.5082611

Cited by 22 publications

(18 citation statements)

References 36 publications

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“…where σ ( q ) is the electron capture cross section as a function of electron energy q , k a =1/ τ a and k d =1/ τ d are, respectively, the autodetachment rate and the dissociation rate, t fl is the time of flight of M − from the moment of its formation to the moment of detection, and f ( u ) is the electron energy distribution in a given experiment [4,30] . Accordingly, for a stable fragment ion, one can obtain

true {C l}^{-} ((), u) = \int_{0}^{\infty} ({} σ (q) \cdot \frac{k_{d} (q)}{k_{a} (q) + k_{d} (q)} \cdot [1 - e^{- ([] k_{a} (q) + k_{d} (q)) • t_{e x t}}]) \cdot f (() q, u) d q,

…”

Section: Resultsmentioning

confidence: 99%

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Dissociative Electron Attachment to Hexachlorobenzene

et al. 2022

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Gas phase molecules of hexachlorobenzene (C 6 Cl 6 ) were investigated by means of dissociative electron attachment spectroscopy (DEAS). Three channels of molecular negative ions decay have been identified: abstraction of Cl À and Cl 2 À as well as electron detachment (τ a ~250 μs at 343 K). All three channels exhibit temperature dependence. The adiabatic electron affinity estimated using a simple but typically accurate Arrhenius model (EA a = 1.6-1.9 eV) turns out to be much higher than the quantum-chemical predictions (EA a = 0.9-1.0 eV). We discuss the possible reasons behind the observed discrepancy.

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true {C l}^{-} ((), u) = \int_{0}^{\infty} ({} σ (q) \cdot \frac{k_{d} (q)}{k_{a} (q) + k_{d} (q)} \cdot [1 - e^{- ([] k_{a} (q) + k_{d} (q)) • t_{e x t}}]) \cdot f (() q, u) d q,

…”

Section: Resultsmentioning

confidence: 99%

“…Measurement of mean electron autodetachment time τ a using DEA spectroscopy can be used to estimate adiabatic electron affinity ( EA a ) in the framework of a simple Arrhenius model as was demonstrated earlier [Eq. ]: [3–6]

true {E A}_{a} = \frac{normall normaln (() τ_{a} / τ_{0}) \cdot (() N {normalk}_{normalB} T + ϵ)}{N - normall normaln (() τ_{a} / τ_{0})},

…”

Section: Introductionmentioning

confidence: 99%

Dissociative Electron Attachment to Hexachlorobenzene

et al. 2022

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“…Only the autodetachment products that are formed within yet a further 6 μs of flight through the second drift region, can reach the detector and be measured. Vorob’ev et al recommended that the electron autodetachment measurements are to be referenced against SF 6 ̇̅ under particular well-defined experimental conditions . In our experimental apparatus, τ a (SF 6 –• ) = 150 μs, at the collision cell temperature of 70 °C …”

Section: Experiments and Calculationsmentioning

confidence: 97%

“…Vorob'ev et al recommended that the electron autodetachment measurements are to be referenced against SF 6 ̅ under particular well-defined experimental conditions. 25 In our experimental apparatus, τ a (SF 6 −• ) = 150 μs, at the collision cell temperature of 70 °C. 26 The lifetime measurements for the molecular negative ions are known to give fairly accurate estimates of the adiabatic electron affinity (EA a ) within the error limits of ±0.1 eV 27,28 through the use of the equation:…”

Section: ■ Experiments and Calculationsmentioning

confidence: 99%

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Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene

et al. 2020

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pentabromotriphenylene (PBTP) were investigated by means of dissociative electron attachment spectroscopy (DEAS). The dominant decay channel of the transient molecular negative ions consists of elimination of Br − with resonances in the low electron energy region. Formation of long-lived parent anions with autodetachment lifetime τ a = 310 μs is observed at thermal electron energies. The adiabatic electron affinities, EA a = 1.12 ± 0.1 eV in HBTP and 1.09 ± 0.1 eV in PBTP, evaluated using a simple Arrhenius approach are in good agreement with those predicted by DFT (XYG3/Def2-TZVPP//PBE0/Def2-TZVPP) calculations.

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Dissoziative Elektronenanlagerungsdynamik eines vielversprechenden Krebsmedikaments zeigt sein Potential als Radiosensitizer

Izadi,

Luxford,

Sedmidubská

et al. 2024

Angewandte Chemie

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2‐Bromo‐1‐(3,3‐dinitroazetidin‐1‐yl)ethan‐1‐one (RRx‐001) is a hypoxic cell chemotherapeutics with already demonstrated synergism in combined chemo‐radiation therapy. The interaction of the compound with secondary low‐energy electrons formed in large amounts during the physico‐chemical phase of the irradiation may lead to these synergistic effects. The present study focuses on the first step of RRx‐001 interaction with low‐energy electrons in which a transient anion is formed and fragmented. Combination of two experiments allows us to disentangle the decay of the RRx‐001 anion on different timescales. Sole presence of the electron initiates rapid dissociation of NO2 and HNO2 neutrals while NO2– and Br– anions are produced both directly and via intermediate complexes. Based on our quantum chemical calculations, we propose that bidirectional intersystem crossing between π*(NO2) and σ*(C–Br) states explains the experimental spectra. The fast dynamics monitored will impact the condensed phase chemistry of the anion as well.

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4-Bromobiphenyl: Long-lived molecular anion formation and competition between electron detachment and dissociation

Cited by 22 publications

References 36 publications

Dissociative Electron Attachment to Hexachlorobenzene

Dissociative Electron Attachment to Hexachlorobenzene

Dissociative Electron Attachment to 2,3,6,7,10,11-Hexabromotriphenylene

Dissoziative Elektronenanlagerungsdynamik eines vielversprechenden Krebsmedikaments zeigt sein Potential als Radiosensitizer

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