Vibrational product state distributions of ion–molecule reactions by infrared chemiluminescence: Cl−+HBr,HI→HCl(v)+Br−,I−

1980 ◽  
Vol 72 (10) ◽  
pp. 5426-5436 ◽  
Author(s):  
Timothy S. Zwier ◽  
Veronica M. Bierbaum ◽  
G. Barney Ellison ◽  
Stephen R. Leone
Keyword(s):  
Product State ◽  
Ion Molecule Reactions

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>

Properties and Reactivity of First and Second Row Hydrides. IV. Interactions Between Hydrides and Their Radical Ions

1993 ◽  
Vol 58 (1) ◽  
pp. 1-10 ◽  
Author(s):  
Rudolf Zahradník
Keyword(s):  
Radical Cations ◽  
Stabilization Energy ◽  
Hydrogen Atom Abstraction ◽  
Type Ii ◽  
Radical Ions ◽  
Reaction Products ◽  
Ion Molecule Reactions ◽  
Heats Of Reaction ◽  
Experimental Values ◽  
Easy Differentiation

The energies and heats of ion-molecule reactions have been calculated (MP4/6-31G**//6-31G** or better level) and compared with the experimental values obtained from the heats of formation. Two main types of reactions have been studied: (i) AHn + AHn+• ↔ AHn+1+ + AHn-1• (A = C to F and Si to Cl), (ii) AHn + BHm+• ↔ AHn+1+ + BHm-1• or AHn-1+• + BHm+1+ (A and B = C to F). In contrast to (i), processes of type (ii) permit easy differentiation between the proton transfer and hydrogen atom abstraction mechanisms. A third type of interaction involves reactions with radical anions (A = Li to F); comparison was made with analogous processes with radical cations. A brief comment is made about the influence of the level of computational sophistication on the energies and heats of reaction, as well as on the stabilization energy of a hydrogen bonded intermediate, a structure which is similar to that of the reaction products.

scholarly journals The chemistry of cool circumstellar envelopes

1987 ◽  
Vol 122 ◽  
pp. 551-552
Author(s):  
L.A.M. Nejad ◽  
T. J. Millar
Keyword(s):  
Kinetic Model ◽  
Chemical Kinetic ◽  
Time Dependent ◽  
Circumstellar Envelopes ◽  
Chemical Kinetic Model ◽  
Ion Molecule Reactions ◽  
Cool Stars

We have developed a time-dependent chemical kinetic model to describe the chemistry in the circumstellar envelopes of cool stars, with particular reference to IRC + 10216. Our detailed calculations show that ion-molecule reactions are important in the formation of many of the species observed in IRC + 10216.

Product state distributions for the vibrational predissociation of NeCl2

1989 ◽  
Vol 90 (5) ◽  
pp. 2605-2616 ◽  
Author(s):  
Joseph I. Cline ◽  
N. Sivakumar ◽  
Dwight D. Evard ◽  
Craig R. Bieler ◽  
Brian P. Reid ◽  
...  
Keyword(s):  
Product State ◽  
Vibrational Predissociation
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