scholarly journals Probing Reactivity of Gold Atoms with Acetylene and Ethylene with VUV Photoionization Mass Spectrometry and Ab Initio Studies

2019 ◽  
Vol 123 (11) ◽  
pp. 2194-2202 ◽  
Author(s):  
Ricardo B. Metz ◽  
Gokhan Altinay ◽  
Oleg Kostko ◽  
Musahid Ahmed
Keyword(s):  
Mass Spectrometry ◽  
Ab Initio ◽  
Photoionization Mass Spectrometry ◽  
Vuv Photoionization

Vacuum ultraviolet photochemistry of the conformers of the ethyl peroxy radical

2021 ◽  
Vol 23 (38) ◽  
pp. 22096-22102
Author(s):  
Zuoying Wen ◽  
Xiaoxiao Lin ◽  
Xiaofeng Tang ◽  
Bo Long ◽  
Chengcheng Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Vacuum Ultraviolet ◽  
Theoretical Calculations ◽  
Peroxy Radical ◽  
Photoionization Mass Spectrometry ◽  
Condon Factors ◽  
Vuv Photoionization ◽  
Franck Condon

C2H5O2 plus its gauche and trans conformers are studied using synchrotron-based VUV photoionization mass spectrometry and theoretical calculations, and it is found that the gauche conformer has favorable Franck–Condon factors in photoionization.

scholarly journals Ab initio dynamics and photoionization mass spectrometry reveal ion–molecule pathways from ionized acetylene clusters to benzene cation

2017 ◽  
Vol 114 (21) ◽  
pp. E4125-E4133 ◽  
Author(s):  
Tamar Stein ◽  
Biswajit Bandyopadhyay ◽  
Tyler P. Troy ◽  
Yigang Fang ◽  
Oleg Kostko ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ab Initio ◽  
Internal Energy ◽  
Aromatic Ring ◽  
Growth Mechanism ◽  
Product Distribution ◽  
Ab Initio Molecular Dynamics ◽  
Unimolecular Decomposition ◽  
Photoionization Mass Spectrometry ◽  
Excess Internal Energy

The growth mechanism of hydrocarbons in ionizing environments, such as the interstellar medium (ISM), and some combustion conditions remains incompletely understood. Ab initio molecular dynamics (AIMD) simulations and molecular beam vacuum-UV (VUV) photoionization mass spectrometry experiments were performed to understand the ion–molecule growth mechanism of small acetylene clusters (up to hexamers). A dramatic dependence of product distribution on the ionization conditions is demonstrated experimentally and understood from simulations. The products change from reactive fragmentation products in a higher temperature, higher density gas regime toward a very cold collision-free cluster regime that is dominated by products whose empirical formula is (C2H2)n+, just like ionized acetylene clusters. The fragmentation products result from reactive ion–molecule collisions in a comparatively higher pressure and temperature regime followed by unimolecular decomposition. The isolated ionized clusters display rich dynamics that contain bonded C4H4+ and C6H6+ structures solvated with one or more neutral acetylene molecules. Such species contain large amounts (>2 eV) of excess internal energy. The role of the solvent acetylene molecules is to affect the barrier crossing dynamics in the potential energy surface (PES) between (C2H2)n+ isomers and provide evaporative cooling to dissipate the excess internal energy and stabilize products including the aromatic ring of the benzene cation. Formation of the benzene cation is demonstrated in AIMD simulations of acetylene clusters with n > 3, as well as other metastable C6H6+ isomers. These results suggest a path for aromatic ring formation in cold acetylene-rich environments such as parts of the ISM.

Isomer-specific product detection of CN radical reactions with ethene and propene by tunable VUV photoionization mass spectrometry

2009 ◽  
Vol 280 (1-3) ◽  
pp. 113-118 ◽  
Author(s):  
Adam J. Trevitt ◽  
Fabien Goulay ◽  
Giovanni Meloni ◽  
David L. Osborn ◽  
Craig A. Taatjes ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Radical Reactions ◽  
Specific Product ◽  
Photoionization Mass Spectrometry ◽  
Vuv Photoionization

Novel applications of synchrotron VUV photoionization mass spectrometry in combustion and energy research

2013 ◽  
Vol 43 (12) ◽  
pp. 1686
Author(s):  
LiangYuan JIA ◽  
ZhongYue ZHOU ◽  
YuYang LI ◽  
JiuZhong YANG ◽  
Fei* QI
Keyword(s):  
Mass Spectrometry ◽  
Energy Research ◽  
Photoionization Mass Spectrometry ◽  
Vuv Photoionization ◽  
Novel Applications
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