Elastic scattering of electrons from tetrahydrofuran molecule

Milosavljević, A. R.; Giuliani, Alexandre; Šević, D.; Hubin‐Franskin, M.‐J.; Marinković, B P

doi:10.1140/epjd/e2005-00191-8

Cited by 59 publications

(55 citation statements)

References 17 publications

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“…Zecca et al 9 and Mo(ejko et al 10 measured the absolute total cross section for electron scattering by gas-phase THF (Zecca et al reported also the positron cross section). The elastic and/or vibrational excitation differential cross sections were measured by Milosavljevicé t al., 11 Colyer et al, 12 Dampc et al 13,14 and in this laboratory. 15 The studies identified broad resonant bands around 6.2 http://doc.rero.ch and 10.8 eV, assigned to two or more overlapping shape resonances.…”

Section: Introductionmentioning

confidence: 61%

Cleavage of the ether bond by electron impact: differences between linear ethers and tetrahydrofuran

Ibănescu

May

Allan

2008

Phys. Chem. Chem. Phys.

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Dissociative electron attachment (DEA) to diethyl ether yielded primarily the C 2 H 5 O À ion, with a strong Feshbach resonance band at 9.1 eV and a weaker shape resonance band at 3.89 eV. Very similar spectra were obtained for dibutyl ether, with C 4 H 9 O À bands at 8.0 and 3.6 eV. Some of these primary ions subsequently lost H 2 and yielded weaker signals of the C 2 H 3 O À and C 4 H 7 O À ions. In contrast, DEA to the cyclic ether tetrahydrofuran (THF) yielded mainly a fragment of mass 41, presumably deprotonated ketene, at 7.65 eV. The low-energy band was missing in THF. H À with two bands at 6.88 and 8.61 eV, and an ion of mass 43 (presumably deprotonated acetaldehyde) with two bands at 6.7 and 8.50 eV were also observed. We propose that in the primary DEA step the C-O bond is cleaved in both the open-chain and the cyclic ethers. In the open-chain ethers the excess energy is partitioned between the (internal and kinetic) energies of two fragments, resulting in an RO À ion cool enough to be observed. The CH 2 (CH 2 ) 3 O À ion resulting from cleavage of the C-O bond in THF contains the entire excess energy (more than 6 eV at an electron energy of 7.65 eV) and is too short-lived with respect to further dissociation and thermal autodetachment to be detected in a mass spectrometer. These findings imply that there could be a substantial difference between the fragmentation in the gas phase described here and fragmentation in the condensed phase where the initially formed fragments can be rapidly cooled by the environment.

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Section: Introductionmentioning

confidence: 61%

Cleavage of the ether bond by electron impact: differences between linear ethers and tetrahydrofuran

Ibănescu

May

Allan

2008

Phys. Chem. Chem. Phys.

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“…Thus, largely due to the biological significance of deoxyribose, a number of studies have been undertaken to investigate electron interactions with the deoxyribose analogue molecules: tetrahydrofuran (THF), tetrahydrofurfuryl alcohol (THFA), and 3-hydroxytetrahydrofuran (3HTHF). These include measurements of elastic DCSs for THF, [11][12][13][14] THFA, 15 and 3HTHF. 16,17 Total cross sections for electron and positron scattering from THF, [18][19][20] 3HTHF, 21 and THFA (Refs.…”

Section: Introductionmentioning

confidence: 99%

Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol

Bellm

Builth-Williams

Jones

et al. 2012

The Journal of Chemical Physics

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Cross section data for electron scattering from DNA are important for modelling radiation damage in biological systems. Triply differential cross sections for the electron impact ionization of the highest occupied outer valence orbital of tetrahydrofurfuryl alcohol, which can be considered as an analogue to the deoxyribose backbone molecule in DNA, have been measured using the (e,2e) technique. The measurements have been performed with coplanar asymmetric kinematics at an incident electron energy of 250 eV, an ejected electron energy of 20 eV, and at scattered electron angles of −5 • , −10 • , and −15 • . Experimental results are compared with corresponding theoretical calculations performed using the molecular 3-body distorted wave model. Some important differences are observed between the experiment and calculations.

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“…Condensedphase experiments on thymidine and a single-strand oligonucleotide have demonstrated that slow electrons do indeed break the C-O phosphate-sugar bonds as well as the C-N base-sugar bonds, [60][61][62] and C-O bond breaking was also found in gas-phase DA to a model phosphodiester. 63 A few electron-collision studies, experimental and theoretical, have looked at the individual backbone constituents, i.e., ribose or deoxyribose and a phosphate group, [64][65][66][67][68][69] and others have also been made of electron collisions with backbone analogs such as tetrahydrofuran, 29,65,[68][69][70][71][72][73][74][75][76][77][78][79] tetrahydrofurfuryl alcohol, 71,72,80,81 fructose, 79 and dibutyl phosphate. 63 However, the only electron collision measurements involving nucleosides that we are aware of are the study by Zheng et al of thymine desorption from condensed-phase deoxythymidine 60 mentioned earlier, and the gas-phase studies by Abdoul-Carime et al 82 and by Denifl et al 83 of DA to deoxythymidine and 5-bromouridine, respectively.…”

Section: Introductionmentioning

confidence: 99%

Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA

Winstead¹,

McKoy²

2006

The Journal of Chemical Physics

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The authors report results from computational studies of the interaction of low-energy electrons with the purine bases of DNA, adenine and guanine, as well as with the associated nucleosides, deoxyadenosine and deoxyguanosine, and the nucleotide deoxyadenosine monophosphate. Their calculations focus on the characterization of the * shape resonances associated with the bases and also provide general information on the scattering of slow electrons by these targets. Results are obtained for adenine and guanine both with and without inclusion of polarization effects, and the resonance energy shifts observed due to polarization are used to predict * resonance energies in associated nucleosides and nucleotides, for which static-exchange calculations were carried out. They observe slight shifts between the resonance energies in the isolated bases and those in the nucleosides.

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Elastic scattering of electrons from tetrahydrofuran molecule

Cited by 59 publications

References 17 publications

Cleavage of the ether bond by electron impact: differences between linear ethers and tetrahydrofuran

Cleavage of the ether bond by electron impact: differences between linear ethers and tetrahydrofuran

Dynamical (e,2e) studies of tetrahydrofurfuryl alcohol

Interaction of low-energy electrons with the purine bases, nucleosides, and nucleotides of DNA

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