4.7 Article

Fragmentation branching ratios of highly excited hydrocarbon molecules CnH and their cations CnH+ (n ≤ 4)

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 128, Issue 12, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.2884862

Keywords

-

Ask authors/readers for more resources

We have measured fragmentation branching ratios of neutral C(n)H and C(n)H(+) cations produced in high velocity (4.5 a.u) collisions between incident C(n)H(+) cations and helium atoms. Electron capture gives rise to excited neutral species C(n)H and electronic excitation to excited cations C(n)H(+). Thanks to a dedicated setup, based on coincident detection of all fragments, the dissociations of the neutral and cationic parents were recorded separately and in a complete way. For the fragmentation of C(n)H, the H-loss channel is found to be dominant, as already observed by other authors. By contrast, the H-loss and C-loss channels equally dominate the two-fragment break up of C(n)H(+) species. For these cations, we provide the first fragmentation data (n > 2). Results are also discussed in the context of astrochemistry. (c) 2008 American Institute of Physics.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Chemistry, Physical

A Statistical Model and DFT Study of the Fragmentation Mechanisms of Metronidazole by Advanced Oxidation Processes

Lejin Xu, Wuyang Li, Pierre Desesquelles, Nguyen-Thi Van-Oanh, Sebastien Thomas, Jun Yang

JOURNAL OF PHYSICAL CHEMISTRY A (2019)

Article Chemistry, Physical

Ice Nucleation Activities of Carbon-Bearing Materials in Deposition Mode: From Graphite to Airplane Soot Surrogates

Raouf Ilkhenazene, Claire Pirim, Jennifer A. Noble, Cornelia Irimiea, Yvain Carpentier, Ismael K. Ortega, Francois-Xavier Ouf, Cristian Focsa, Bertrand Chazallon

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Environmental Sciences

Multi-technique physico-chemical characterization of particles generated by a gasoline engine: Towards measuring tailpipe emissions below 23 nm

C. Focsa, D. Duca, J. A. Noble, M. Vojkovic, Y. Carpentier, C. Pirim, C. Betrancourt, P. Desgroux, T. Tritscher, J. Spielvogel, M. Rahman, A. Boies, K. F. Lee, A. N. Bhave, S. Legendre, O. Lancry, P. Kreutziger, M. Rieker

ATMOSPHERIC ENVIRONMENT (2020)

Article Chemistry, Multidisciplinary

Evidence on the formation of dimers of polycyclic aromatic hydrocarbons in a laminar diffusion flame

Alessandro Faccinetto, Cornelia Irimiea, Patrizia Minutolo, Mario Commodo, Andrea D'Anna, Nicolas Nuns, Yvain Carpentier, Claire Pirim, Pascale Desgroux, Cristian Focsa, Xavier Mercier

COMMUNICATIONS CHEMISTRY (2020)

Article Chemistry, Physical

Probing the structural properties of the water solvation shell around gold nanoparticles: A computational study

Rika Tandiana, Emilie Brun, Cecile Sicard-Roselli, Dominik Domin, Nguyen-Thi Van-Oanh, Carine Clavaguera

Summary: The study demonstrates that with increasing sizes of gold nanoparticles, the reorganization of the first water solvation shell occurs to enhance the interactions between water molecules as well as water-GNP interactions.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Meteorology & Atmospheric Sciences

New particle formation from agricultural recycling of organic waste products

R. Ciuraru, J. Kammer, C. Decuq, M. Vojkovic, K. Haider, Y. Carpentier, F. Lafouge, C. Berger, M. Bourdat-Deschamps, I. K. Ortega, F. Levavasseur, S. Houot, B. Loubet, D. Petitprez, C. Focsa

Summary: This study reveals that sewage sludge used as fertilizer is an unaccounted source of nucleation precursors, with high emission and nucleation rates. The emissions may have significant impacts on local and regional air quality during the spreading period, contributing to the understanding of aerosol balance in the atmosphere.

NPJ CLIMATE AND ATMOSPHERIC SCIENCE (2021)

Article Chemistry, Physical

Interaction between organic molecules and a gold nanoparticle: a quantum chemical topological analysis

Rika Tandiana, Nguyen-Thi Van-Oanh, Carine Clavaguera

Summary: The study systematically investigated the interaction between the surface of gold nanoparticles and various small organic molecules, revealing that electrophilic sites dominate the surface of the nanoparticles with higher reactivity at corner and edge atoms. The preferred orientation of adsorption is determined by the shape of the frontier molecular orbitals. Further classification of interactions and insights into charge transfer were obtained through quantum chemical topological analyses of electron density and electron localization function.

THEORETICAL CHEMISTRY ACCOUNTS (2021)

Article Chemistry, Physical

Competition between Loss of H2 versus H+H in the Fragmentation of the Fluorene Cation

Pierre Desesquelles, Dominik Domin, Lejin Xu, Nguyen-Thi Van-Oanh

Summary: This paper analyzes the fragmentation and hydrogen losses from the fluorene cation using the SMF model, and determines the contributions of different types of hydrogen atom pairings to the production of hydrogen molecules. The results show a good agreement with experimental data when considering same ring pairing.

CHEMPHYSCHEM (2023)

Article Chemistry, Physical

Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory

Rika Tandiana, Karwan Ali Omar, Eleonora Luppi, Fabien Cailliez, Van-Oanh Nguyen-Thi, Carine Clavaguera, Aurelien de la Lande

Summary: This paper improves the prediction of electronic stopping power by introducing Gaussian atomic orbitals (AOC) and demonstrates their effectiveness through benchmark tests on water irradiated by protons.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2023)

Article Chemistry, Physical

In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle

Rika Tandiana, Cecile Sicard-Roselli, Nguyen-Thi Van-Oanh, Stephan Steinmann, Carine Clavaguera

Summary: This study theoretically investigates the adsorption behavior of aromatic molecules with different functional groups on the surface of gold nanoparticles. It finds a preference for the aromatic ring to lie flat on the surface and reveals the interaction mechanism between the molecules and GNPs through vibrational spectroscopy and charge decomposition analysis.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model

Pierre Desesquelles, Nguyen-Thi Van-Oanh, Lejin Xu, Yining Luo, Tam V. -T. Mai, Lam K. Huynh, Dominik Domin

Summary: The study utilized the statistical molecular fragmentation (SMF) model to analyze the fragmentation channels of the fluorene cation, providing insights into the locations of lost hydrogen atoms, yields of neutral fragments, and quantification of low probability channels. The charge localization during fragmentation pathways was also studied, offering a qualitative understanding of the fragmentation process. The SMF results correlated with experimental measurements of hydrogen loss yield obtained through VUV synchrotron imaging photoelectron-photoion coincidence spectroscopy.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Statistical molecular fragmentation: which parameters influence the branching ratios?

Pierre Desesquelles, Nguyen-Thi Van-Oanh, Sebastien Thomas, Dominik Domin

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Meteorology & Atmospheric Sciences

Chemical discrimination of the particulate and gas phases of miniCAST exhausts using a two-filter collection method

Linh Dan Ngo, Dumitru Duca, Yvain Carpentier, Jennifer A. Noble, Raouf Ikhenazene, Mann Vojkovic, Cornelia Irimiea, Ismael K. Ortega, Guillaume Lefevre, Jerome Yon, Alessandro Faccinetto, Eric Therssen, Michael Ziskind, Bertrand Chazallon, Claire Pirim, Cristian Focsa

ATMOSPHERIC MEASUREMENT TECHNIQUES (2020)

Article Chemistry, Physical

On the benefits of using multivariate analysis in mass spectrometric studies of combustion-generated aerosols

D. Duca, C. Irimiea, A. Faccinetto, J. A. Noble, M. Vojkovic, Y. Carpentier, I. K. Ortega, C. Pirim, C. Focsa

FARADAY DISCUSSIONS (2019)

Article Chemistry, Physical

The statistical molecular fragmentation model compared to experimental plasma induced hydrocarbon decays

Pierre Desesquelles, Stephane Pasquiers, Nicole Blin-Simiand, Lionel Magne, Nguyen-Thi Van-Oanh, Sebastien Thomas, Dominik Domin

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

No Data Available