Reduced-dimensionality calculation of reaction cross sections and rate constant for the complex-forming gas-phase SN2 reaction Cl−+ CH3Cl′ → ClCH3+ Cl′−

2005 ◽  
Vol 7 (7) ◽  
pp. 1552-1559 ◽  
Author(s):  
Carsten Hennig ◽  
Stefan Schmatz
Keyword(s):  
Gas Phase ◽  
Rate Constant ◽  
Cross Sections ◽  
Reaction Cross ◽  
Reduced Dimensionality ◽  
Sn2 Reaction ◽  
Reaction Cross Sections

Ion-molecule reactions of methyl fluoride and methylene chloride

1970 ◽  
Vol 23 (11) ◽  
pp. 2301 ◽  
Author(s):  
NA McAskill
Keyword(s):  
High Pressure ◽  
Gas Phase ◽  
Mass Spectrometer ◽  
Cross Sections ◽  
Main Product ◽  
Methylene Chloride ◽  
Reaction Cross ◽  
Rate Coefficients ◽  
Ion Molecule Reactions ◽  
Reaction Cross Sections

The ion-molecule reactions of CH3F and CH2Cl2 were examined in the gas phase using a high-pressure mass spectrometer. The ionic products of CH3F were mainly CH2F+, C2H6F+, and CH4F+. In the CH2Cl2 system the main product was CHCl2+ together with smaller amounts of CH2Cl+, CH3Cl2+, and several condensation ions. The ionic reactivity of the two compounds was compared to that of other halomethanes. Rate coefficients and reaction cross sections for many primary reactant ions were measured as a function of the ion exit energy.

scholarly journals Reaction cross sections and thermal rate constant for Cl− + CH3Br → ClCH3 + Br− from J-dependent quantum scattering calculations

2016 ◽  
Vol 18 (29) ◽  
pp. 19668-19675 ◽  
Author(s):  
Carsten Hennig ◽  
Stefan Schmatz
Keyword(s):  
Gas Phase ◽  
Cross Sections ◽  
Scattering Theory ◽  
Total Angular Momentum ◽  
Reaction Cross ◽  
Quantum Scattering ◽  
Initial State ◽  
Quantum Scattering Theory ◽  
Reduced Time ◽  
Reaction Cross Sections

Employing dimensionality-reduced time-independent quantum scattering theory and summation over all possible total angular momentum states, initial-state selected reaction cross sections for the exothermic gas-phase bimolecular nucleophilic substitution (SN2) reaction Cl− + CH3Br → ClCH3 + Br− have been calculated.

Rate Constants, Reactive Flux

2018 ◽  
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen
Keyword(s):  
Correlation Function ◽  
Rate Constant ◽  
Cross Sections ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Exact Expression ◽  
Reaction Cross ◽  
Dividing Surface ◽  
Definition Of ◽  
Reactive Flux

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the reactive flux across a dividing surface on the potential energy surface. Versions based on classical as well as quantum mechanics are described. The classical version and its relation to Wigner’s variational theorem and recrossings of the dividing surface is discussed. Neglecting recrossings, an approximate result based on the calculation of the classical one-way flux from reactants to products is considered. Recrossings can subsequently be included via a transmission coefficient. An alternative exact expression is formulated based on a canonical average of the flux time-correlation function. It concludes with the quantum mechanical definition of the flux operator and the derivation of a relation between the rate constant and a flux correlation function.

Formation of α clusters in dilute neutron-rich matter

Science ◽  
2021 ◽  
Vol 371 (6526) ◽  
pp. 260-264 ◽  
Author(s):  
Junki Tanaka ◽  
Zaihong Yang ◽  
Stefan Typel ◽  
Satoshi Adachi ◽  
Shiwei Bai ◽  
...  
Keyword(s):  
Cross Sections ◽  
Cluster Formation ◽  
Reaction Cross ◽  
Skin Thickness ◽  
Neutron Skin ◽  
Heavy Nuclei ◽  
Α Decay ◽  
Neutron Skin Thickness ◽  
Reaction Cross Sections ◽  
Α Particles

The surface of neutron-rich heavy nuclei, with a neutron skin created by excess neutrons, provides an important terrestrial model system to study dilute neutron-rich matter. By using quasi-free α cluster–knockout reactions, we obtained direct experimental evidence for the formation of α clusters at the surface of neutron-rich tin isotopes. The observed monotonous decrease of the reaction cross sections with increasing mass number, in excellent agreement with the theoretical prediction, implies a tight interplay between α-cluster formation and the neutron skin. This result, in turn, calls for a revision of the correlation between the neutron-skin thickness and the density dependence of the symmetry energy, which is essential for understanding neutron stars. Our result also provides a natural explanation for the origin of α particles in α decay.

scholarly journals 7Be and 8B reaction dynamics at Coulomb barrier energies

2018 ◽  
Vol 184 ◽  
pp. 02015
Author(s):  
E. Strano ◽  
M. Mazzocco ◽  
A. Boiano ◽  
C. Boiano ◽  
M. La Commara ◽  
...  
Keyword(s):  
Cross Sections ◽  
Coulomb Barrier ◽  
Reaction Cross Section ◽  
Optical Model ◽  
Reaction Dynamics ◽  
Reaction Cross ◽  
Total Reaction Cross Section ◽  
Weakly Bound ◽  
Total Reaction ◽  
Reaction Cross Sections

We investigated the reaction dynamics induced by the 7Be,8B+208Pb collisions at energies around the Coulomb barrier. Charged particles originated by both the col- lisions were detected by means of 6 ΔE-Eres telescopes of a newly developed detector array. Experimental data were analysed within the framework of the Optical Model and the total reaction cross-sections were compared together and with the 6,7Li+208Pb colli-sion data. According to the preliminary results, 7Be nucleus reactivity is rather similar to the 7Li one whereas the 8B+208Pb total reaction cross section appears to be much larger than those measured for reactions induced by the other weakly-bound projectiles on the same target.

7,9,10Be elastic scattering and total reaction cross sections on a12C target

2011 ◽  
Vol 84 (3) ◽  
Author(s):  
J. C. Zamora ◽  
V. Guimarães ◽  
A. Barioni ◽  
A. Lépine-Szily ◽  
R. Lichtenthäler ◽  
...  
Keyword(s):  
Elastic Scattering ◽  
Cross Sections ◽  
Reaction Cross ◽  
Total Reaction ◽  
Reaction Cross Sections
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