Kinetic and dynamic studies of the H2 + NH2- reaction on a high-level ab initio potential energy surface

2021 ◽  
Author(s):  
Mengyi Pan ◽  
Haipan Xiang ◽  
Yong Li ◽  
Hongwei Song
Keyword(s):  
Gas Phase ◽  
Radical Anion ◽  
Hydrogen Molecule ◽  
Energy Surface ◽  
Transfer Reactions ◽  
Ion Molecule Reactions ◽  
Dynamic Studies ◽  
Proton Transfer Reactions ◽  
High Level ◽  
Gas Phase Ion

Gas-phase ion-molecule reactions play major roles in many fields of chemistry and physics. The reaction of amino radical anion with hydrogen molecule is one of the simplest proton transfer reactions...

scholarly journals High-level ab initio potential energy surface and dynamics of the F−+ CH3I SN2 and proton-transfer reactions

2017 ◽  
Vol 8 (4) ◽  
pp. 3164-3170 ◽  
Author(s):  
Balázs Olasz ◽  
István Szabó ◽  
Gábor Czakó
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Transfer Reactions ◽  
Proton Transfer Reactions ◽  
High Level

The first analyticalab initiopotential energy surface reveals the dynamics and different mechanisms of the F−+ CH3I reaction.

Reactivity Trends in the Gas Phase Addition of Acetylene to N-protonated Aryl Radical Cations

2020 ◽  
Author(s):  
Oisin Shiels ◽  
P. D. Kelly ◽  
Cameron C. Bright ◽  
Berwyck L. J. Poad ◽  
Stephen Blanksby ◽  
...  
Keyword(s):  
Gas Phase ◽  
Ion Trap ◽  
Radical Cations ◽  
Rate Coefficients ◽  
Similar Process ◽  
Ion Molecule Reactions ◽  
Aromatic Radicals ◽  
Polycyclic Aromatic ◽  
Gas Phase Ion ◽  
Type Radical

<div> <div> <div> <p>A key step in gas-phase polycyclic aromatic hydrocarbon (PAH) formation involves the addition of acetylene (or other alkyne) to σ-type aromatic radicals, with successive additions yielding more complex PAHs. A similar process can happen for N- containing aromatics. In cold diffuse environments, such as the interstellar medium, rates of radical addition may be enhanced when the σ-type radical is charged. This paper investigates the gas-phase ion-molecule reactions of acetylene with nine aromatic distonic σ-type radical cations derived from pyridinium (Pyr), anilinium (Anl) and benzonitrilium (Bzn) ions. Three isomers are studied in each case (radical sites at the ortho, meta and para positions). Using a room temperature ion trap, second-order rate coefficients, product branching ratios and reaction efficiencies are reported. </p> </div> </div> </div>

Gas-phase proton-transfer reactions of the hydronium ion at 298 K

1979 ◽  
Vol 57 (12) ◽  
pp. 1518-1523 ◽  
Author(s):  
Gervase I. Mackay ◽  
Scott D. Tanner ◽  
Alan C. Hopkinson ◽  
Diethard K. Bohme
Keyword(s):  
Proton Transfer ◽  
Gas Phase ◽  
Rate Constants ◽  
Transfer Reactions ◽  
Flowing Afterglow ◽  
Hydronium Ion ◽  
Proton Transfer Reactions

Rate constants measured with the flowing afterglow technique at 298 ± 2 K are reported for the proton-transfer reactions of H3O+ with CH2O, CH3CHO, (CH3)2CO, HCOOH, CH3COOH, HCOOCH3, CH3OH, C2H5OH, (CH3)2O, and CH2CO. Dissociative proton-transfer was observed only with CH3COOH. The rate constants are compared with the predictions of various theories for ion–molecule collisions. The protonation is discussed in terms of the energetics and mechanisms of various modes of dissociation.

Gas phase ion-molecule reactions of monogermane with oxygen and ammonia

1988 ◽  
Vol 354 (1) ◽  
pp. 39-50 ◽  
Author(s):  
Paola Benzi ◽  
Lorenza Operti ◽  
Gian Angelo Vaglio ◽  
Paolo Volpe ◽  
Maurizio Speranca ◽  
...  
Keyword(s):  
Gas Phase ◽  
Ion Molecule Reactions ◽  
Gas Phase Ion

scholarly journals Erratum to: In-source CID of guanosine: Gas phase ion — Molecule reactions

2006 ◽  
Vol 17 (11) ◽  
pp. 1629-1629
Author(s):  
Robin Tuytten ◽  
Eddy Esmans ◽  
Wouter A. Herrebout ◽  
Benjamin J. Veken ◽  
Ed Dudley ◽  
...  
Keyword(s):  
Gas Phase ◽  
Ion Molecule Reactions ◽  
Gas Phase Ion
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