Experimental and theoretical studies of the O(3P) + C2H4reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing

2012 ◽  
Vol 137 (22) ◽  
pp. 22A532 ◽  
Author(s):  
Bina Fu ◽  
Yong-Chang Han ◽  
Joel M. Bowman ◽  
Francesca Leonori ◽  
Nadia Balucani ◽  
...  
Keyword(s):  
Energy Dependence ◽  
Collision Energy ◽  
Branching Ratios ◽  
Intersystem Crossing ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

Experimental and Theoretical Studies on the Dynamics of the O(3P) + Propene Reaction: Primary Products, Branching Ratios, and Role of Intersystem Crossing

2015 ◽  
Vol 119 (26) ◽  
pp. 14632-14652 ◽  
Author(s):  
Francesca Leonori ◽  
Nadia Balucani ◽  
Vaclav Nevrly ◽  
Astrid Bergeat ◽  
Stefano Falcinelli ◽  
...  
Keyword(s):  
Branching Ratios ◽  
Intersystem Crossing ◽  
Theoretical Studies ◽  
Primary Products ◽  
Experimental And Theoretical Studies

scholarly journals Experimental and Computational Studies on the Reactivity of Methanimine Radical Cation (H2CNH+•) and its Isomer Aminomethylene (HCNH2+•) With C2H2

2021 ◽  
Vol 8 ◽  
Author(s):  
Vincent Richardson ◽  
Daniela Ascenzi ◽  
David Sundelin ◽  
Christian Alcaraz ◽  
Claire Romanzin ◽  
...  
Keyword(s):  
Radical Cation ◽  
Cross Sections ◽  
Theoretical Calculations ◽  
Branching Ratios ◽  
Theoretical Studies ◽  
Star Forming ◽  
Star Forming Regions ◽  
The One ◽  
Product Branching ◽  
Experimental And Theoretical Studies

Experimental and theoretical studies are presented on the reactivity of the radical cation isomers H2CNH+• (methanimine) and HCNH2+• (aminomethylene) with ethyne (C2H2). Selective isomer generation is performed via dissociative photoionization of suitable neutral precursors as well as via direct photoionization of methanimine. Reactive cross sections (in absolute scales) and product branching ratios are measured as a function of photon and collision energies. Differences between isomers’ reactivity are discussed in light of ab-initio calculations of reaction mechanisms. The major channels, for both isomers, are due to H atom elimination from covalently bound adducts to give [C3NH4]+. Theoretical calculations show that while for the reaction of HCNH2+• with acetylene any of the three lowest energy [C3NH4]+ isomers can form via barrierless and exothermic pathways, for the H2CNH+• reagent the only barrierless pathway is the one leading to the production of protonated vinyl cyanide (CH2CHCNH+), a prototypical branched nitrile species that has been proposed as a likely intermediate in star forming regions and in the atmosphere of Titan. The astrochemical implications of the results are briefly addressed.

The Stabilizing Effect of Pre-Equilibria: A Trifluoromethyl Complex as CF2 Reservoir in Catalytic Olefin Difluorocarbenation

2020 ◽  
Author(s):  
Thomas Louis-Goff ◽  
Huu Vinh Trinh ◽  
Eileen Chen ◽  
Arnold L. Rheingold ◽  
Christian Ehm ◽  
...  
Keyword(s):  
High Selectivity ◽  
Side Reactions ◽  
Theoretical Studies ◽  
Attractive Feature ◽  
Catalyst Recovery ◽  
Wide Range ◽  
Stabilizing Effect ◽  
Experimental And Theoretical Studies

A new, efficient, catalytic difluorocarbenation of olefins to give 1,1-difluorocyclopropanes is presented. The catalyst, an organobismuth complex, uses TMSCF<sub>3</sub> as a stoichiometric difluorocarbene source. We demonstrate both the viability and robustness of this reaction over a wide range of alkenes and alkynes, including electron-poor alkenes, to generate the corresponding 1,1-difluorocyclopropanes and 1,1-difluorocyclopropenes. Ease of catalyst recovery from the reaction mixture is another attractive feature of this method. In depth experimental and theoretical studies showed that the key difluorocarbene-generating step proceeds through a bismuth non-redox synchronous mechanism generating a highly reactive free CF<sub>2</sub> in an endergonic pre-equilibrium. It is the reversibility when generating the difluorocarbene that accounts for the high selectivity, while minimizing CF<sub>2</sub>-recombination side-reactions.

Strong coupling: resonant effects

2017 ◽  
Author(s):  
Alexey V. Kavokin ◽  
Jeremy J. Baumberg ◽  
Guillaume Malpuech ◽  
Fabrice P. Laussy
Keyword(s):  
Strong Coupling ◽  
Experimental Studies ◽  
Strong Coupling Regime ◽  
Theoretical Studies ◽  
Stimulated Scattering ◽  
Quantum Theories ◽  
Pump Probe ◽  
Exciton Polaritons ◽  
Linear Optical Properties ◽  
Experimental And Theoretical Studies

This chapter presents experimental studies performed on planar semiconductor microcavities in the strong-coupling regime. The first section reviews linear experiments performed in the 1990s that evidence the linear optical properties of cavity exciton-polaritons. The chapter is then focused on experimental and theoretical studies of resonantly excited microcavity emission. We mainly describe experimental configuations in which stimulated scattering was observed due to formation of a dynamical condensate of polaritons. Pump-probe and cw experiments are described in addition. Dressing of the polariton dispersion and bistability of the polariton system due to inter-condensate interactions are discussed. The semiclassical and the quantum theories of these effects are presented and their results analysed. The potential for realization of devices is also discussed.

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