Complex internal rearrangement processes triggered by electron transfer to acetic acid

P. Limão-Vieira; G. Meneses; T. Cunha; A. Gil; Maria José Calhorda; Gustavo A. García; F. Ferreira Da Silva

doi:10.1088/1742-6596/635/1/012002

Complex internal rearrangement processes triggered by electron transfer to acetic acid

P. Limão-Vieira, G. Meneses, T. Cunha, A. Gil, Maria José Calhorda, Gustavo A. García, F. Ferreira Da Silva

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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Abstract

We present negative ion formation from collisions of 100 eV neutral potassium atoms with acetic acid (CH₃COOH) and its deuterated analogue molecules (CH₃COOD, CD₃COOH). From the negative ion time-of-flight (TOF) mass spectra, OH^- is the main fragment detected accounting on average for more than 25% of the total anion yield. The complex internal rearrangement processes triggered by electron transfer to acetic acid have been evaluated with the help of theoretical calculations at the DFT levels explaining the fragmentation channel yielding OH^-.

Original language	English
Title of host publication	XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015)
Editors	L. Mendez , C. Diaz , I. Rabadan , G. Garcia , F. Martin
Place of Publication	Bristol, UK
Publisher	IOP Publishing Ltd.
Volume	Pts. 1-12
DOIs	https://doi.org/10.1088/1742-6596/635/1/012002
Publication status	Published - 7 Sep 2015
Event	29th International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015) - Toledo, Spain Duration: 22 Jul 2015 → 28 Jul 2015 Conference number: 29th

Publication series

Name	Journal Of Physics: Conference Series
Publisher	IOP Publishing Ltd.
Number	1
Volume	635
ISSN (Print)	1742-6588

Conference

Conference	29th International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015)
Abbreviated title	ICPEAC 2015
Country	Spain
City	Toledo
Period	22/07/15 → 28/07/15

Keywords

NEGATIVE-ION FORMATION
ATOM-MOLECULE COLLISIONS
LOW-ENERGY ELECTRONS
PYRIMIDINE-BASES
FRAGMENTATION
ATTACHMENT

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Limao-Vieira_2015_JPhysConfSer_635_012002Final published version, 1.12 MBLicence: CC BY

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Limão-Vieira, P., Meneses, G., Cunha, T., Gil, A., Calhorda, M. J., García, G. A., & Da Silva, F. F. (2015). Complex internal rearrangement processes triggered by electron transfer to acetic acid. In L. Mendez , C. Diaz , I. Rabadan , G. Garcia , & F. Martin (Eds.), XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015) (Vol. Pts. 1-12). [012002] (Journal Of Physics: Conference Series; Vol. 635, No. 1). IOP Publishing Ltd.. https://doi.org/10.1088/1742-6596/635/1/012002

Limão-Vieira, P. ; Meneses, G. ; Cunha, T. ; Gil, A. ; Calhorda, Maria José ; García, Gustavo A. ; Da Silva, F. Ferreira. / Complex internal rearrangement processes triggered by electron transfer to acetic acid. XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015). editor / L. Mendez ; C. Diaz ; I. Rabadan ; G. Garcia ; F. Martin . Vol. Pts. 1-12 Bristol, UK : IOP Publishing Ltd., 2015. (Journal Of Physics: Conference Series; 1).

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title = "Complex internal rearrangement processes triggered by electron transfer to acetic acid",

abstract = "We present negative ion formation from collisions of 100 eV neutral potassium atoms with acetic acid (CH3COOH) and its deuterated analogue molecules (CH3COOD, CD3COOH). From the negative ion time-of-flight (TOF) mass spectra, OH- is the main fragment detected accounting on average for more than 25% of the total anion yield. The complex internal rearrangement processes triggered by electron transfer to acetic acid have been evaluated with the help of theoretical calculations at the DFT levels explaining the fragmentation channel yielding OH-.",

keywords = "NEGATIVE-ION FORMATION, ATOM-MOLECULE COLLISIONS, LOW-ENERGY ELECTRONS, PYRIMIDINE-BASES, FRAGMENTATION, ATTACHMENT",

author = "P. Lim{\~a}o-Vieira and G. Meneses and T. Cunha and A. Gil and Calhorda, {Maria Jos{\'e}} and Garc{\'i}a, {Gustavo A.} and {Da Silva}, {F. Ferreira}",

note = "info:eu-repo/grantAgreement/FCT/5876/147412/PT# info:eu-repo/grantAgreement/FCT/5876/147264/PT# info:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F89722%2F2012/PT# info:eu-repo/grantAgreement/FCT/5876/147258/PT# IF-FCT IF/00380/2014. PLV the research grants PTDC/FIS ATO/1832/2012. SFRH/BD/52538/2014. Doctoral Trainning Programme (RaBBiT, PD-F, PD/00193/2012). Spanish Ministerio de Econom{\'i}a y Competitividad (Project No. FIS 2009-10245). Some of this work forms part of the EU/ESF COST Action CM1401, Our Astro-Chemical History. ; 29th International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015), ICPEAC 2015 ; Conference date: 22-07-2015 Through 28-07-2015",

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Limão-Vieira, P, Meneses, G, Cunha, T, Gil, A, Calhorda, MJ, García, GA & Da Silva, FF 2015, Complex internal rearrangement processes triggered by electron transfer to acetic acid. in L Mendez , C Diaz , I Rabadan , G Garcia & F Martin (eds), XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015). vol. Pts. 1-12, 012002, Journal Of Physics: Conference Series, no. 1, vol. 635, IOP Publishing Ltd., Bristol, UK, 29th International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015), Toledo, Spain, 22/07/15. https://doi.org/10.1088/1742-6596/635/1/012002

Complex internal rearrangement processes triggered by electron transfer to acetic acid. / Limão-Vieira, P.; Meneses, G.; Cunha, T.; Gil, A.; Calhorda, Maria José; García, Gustavo A.; Da Silva, F. Ferreira.

XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015). ed. / L. Mendez ; C. Diaz ; I. Rabadan ; G. Garcia ; F. Martin . Vol. Pts. 1-12 Bristol, UK : IOP Publishing Ltd., 2015. 012002 (Journal Of Physics: Conference Series; Vol. 635, No. 1).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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AU - Meneses, G.

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AU - Gil, A.

AU - Calhorda, Maria José

AU - García, Gustavo A.

AU - Da Silva, F. Ferreira

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AB - We present negative ion formation from collisions of 100 eV neutral potassium atoms with acetic acid (CH3COOH) and its deuterated analogue molecules (CH3COOD, CD3COOH). From the negative ion time-of-flight (TOF) mass spectra, OH- is the main fragment detected accounting on average for more than 25% of the total anion yield. The complex internal rearrangement processes triggered by electron transfer to acetic acid have been evaluated with the help of theoretical calculations at the DFT levels explaining the fragmentation channel yielding OH-.

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KW - ATOM-MOLECULE COLLISIONS

KW - LOW-ENERGY ELECTRONS

KW - PYRIMIDINE-BASES

KW - FRAGMENTATION

KW - ATTACHMENT

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VL - Pts. 1-12

T3 - Journal Of Physics: Conference Series

BT - XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015)

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A2 - Rabadan , I.

A2 - Garcia , G.

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CY - Bristol, UK

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Y2 - 22 July 2015 through 28 July 2015

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Limão-Vieira P, Meneses G, Cunha T, Gil A, Calhorda MJ, García GA et al. Complex internal rearrangement processes triggered by electron transfer to acetic acid. In Mendez L, Diaz C, Rabadan I, Garcia G, Martin F, editors, XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2015). Vol. Pts. 1-12. Bristol, UK: IOP Publishing Ltd. 2015. 012002. (Journal Of Physics: Conference Series; 1). https://doi.org/10.1088/1742-6596/635/1/012002