| Full text | |
| Author(s): |
Ameixa, J.
[1, 2, 3]
;
Arthur-Baidoo, E.
[1, 2]
;
Pereira-da-Silva, J.
[3]
;
Ryszka, M.
[4]
;
Carmichael, I.
[4]
;
Cornetta, L. M.
;
Varella, M. T. do N.
[5]
;
da Silva, F. Ferreira
[3]
;
Ptasinska, S.
[6, 4]
;
Denifl, S.
[1, 2]
Total Authors: 10
|
| Affiliation: | [1] Leopold Franzens Univ Innsbruck, Inst Ionenphys & Angew Phys, Tech Str 25-3, A-6020 Innsbruck - Austria
[2] Leopold Franzens Univ Innsbruck, Ctr Mol Biosci CMBI, Tech Str 25-3, A-6020 Innsbruck - Austria
[3] Univ Nova Lisboa, Atom & Mol Collis Lab, CEFITEC, Dept Phys, P-2829516 Caparica - Portugal
[4] Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 - USA
[5] Univ Sao Paulo, Inst Fis, Rua Matao 1731, BR-05508090 Sao Paulo - Brazil
[6] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 - USA
Total Affiliations: 6
|
| Document type: | Journal article |
| Source: | Physical Chemistry Chemical Physics; v. 22, n. 15, p. 8171-8181, APR 21 2020. |
| Web of Science Citations: | 2 |
| Abstract | |
Benzaldehyde is a simple aromatic aldehyde and has a wide range of applications in the food, pharmaceutical, and chemical industries. The positive electron affinity of this compound suggests that low-energy electrons can be easily trapped by neutral benzaldehyde. In the present study, we investigated the formation of negative ions following electron attachment to benzaldehyde in the gas-phase. Calculations on elastic electron scattering from benzaldehyde indicate a pi{*} valence bound state of the anion at -0.48 eV and three pi{*} shape resonances (0.78, 2.48 and 5.51 eV). The excited state spectrum of the neutral benzaldehyde is also reported to complement our findings. Using mass spectrometry, we observed the formation of the intact anionic benzaldehyde at similar to 0 eV. We ascribe the detection of the benzaldehyde anion to stabilization of the pi{*} valence bound state upon dissociative electron attachment to a benzaldehyde dimer. In addition, we report the cross sections for nine fragment anions formed through electron attachment to benzaldehyde. Investigations carried out with partially deuterated benzaldehyde show that the hydrogen loss is site-selective with respect to the incident electron energy. In addition, we propose several dissociation pathways, backed up by quantum chemical calculations on their thermodynamic thresholds. The threshold calculations also support that the resonances formed at higher energies lead to fragment anions observable by mass spectrometry, whereas the resonances at low electron energies decay only by electron autodetachment. (AU) | |
| FAPESP's process: | 15/17273-5 - Electro-Induced processes in Thymine and Uracile complexes. |
| Grantee: | Lucas Medeiros Cornetta |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 17/24145-9 - Anionic and positronic transient molecular states |
| Grantee: | Andre de Pinho Vieira |
| Support Opportunities: | Regular Research Grants |