scholarly journals Bimolecular Reaction Dynamics in the Phenyl–Silane System: Exploring the Prototype of a Radical Substitution Mechanism

2018 ◽  
Vol 9 (17) ◽  
pp. 5135-5142 ◽  
Author(s):  
Michael Lucas ◽  
Aaron M. Thomas ◽  
Tao Yang ◽  
Ralf I. Kaiser ◽  
Alexander M. Mebel ◽  
...  
Keyword(s):  
Reaction Dynamics ◽  
Bimolecular Reaction ◽  
Substitution Mechanism ◽  
Radical Substitution

Bimolecular reaction dynamics of Co+(3F4) + acetone reaction in real time

1999 ◽  
Vol 185-187 ◽  
pp. 837-846 ◽  
Author(s):  
Sung Soo Yi ◽  
Emily L. Reichert ◽  
James C. Weisshaar
Keyword(s):  
Real Time ◽  
Reaction Dynamics ◽  
Bimolecular Reaction

scholarly journals Approaching the forbidden fruit of reaction dynamics: Aiming reagent at selected impact parameters

2018 ◽  
Vol 4 (10) ◽  
pp. eaau2821 ◽  
Author(s):  
Kelvin Anggara ◽  
Lydie Leung ◽  
Matthew J. Timm ◽  
Zhixin Hu ◽  
John C. Polanyi
Keyword(s):  
Impact Parameter ◽  
Reaction Dynamics ◽  
Bimolecular Reaction ◽  
Important Variable ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Stationary Target ◽  
Impact Parameters ◽  
Miss Distance ◽  
The Impact

Collision geometry is central to reaction dynamics. An important variable in collision geometry is the miss-distance between molecules, known as the “impact parameter.” This is averaged in gas-phase molecular beam studies. By aligning molecules on a surface prior to electron-induced dissociation, we select impact parameters in subsequent inelastic collisions. Surface-collimated “projectile” molecules, difluorocarbene (CF2), were aimed at stationary “target” molecules characterized by scanning tunneling microscopy (STM), with the observed scattering interpreted by computational molecular dynamics. Selection of impact parameters showed that head-on collisions favored bimolecular reaction, whereas glancing collisions led only to momentum transfer. These collimated projectiles could be aimed at the wide variety of adsorbed targets identifiable by STM, with the selected impact parameter assisting in the identification of the collision geometry required for reaction.

scholarly journals Bimolecular Reaction Dynamics in the Phenyl - Silane System: Exploring the Prototype of a Radical Substitution Mechanism

2018 ◽  
Author(s):  
Michael Lucas ◽  
Aaron M. Thomas ◽  
Tao Yang ◽  
Ralf I. Kaiser ◽  
Alexander M. Mebel ◽  
...  
Keyword(s):  
Gas Phase ◽  
Hydrogen Abstraction ◽  
Carbon Star ◽  
Bimolecular Reaction ◽  
Circumstellar Envelope ◽  
Phase Reaction ◽  
Chemical Dynamics ◽  
Substitution Reactions ◽  
Single Collision ◽  
Radical Substitution

<p>We present a combined experimental and theoretical investigation of the bimolecular gas phase reaction of the phenyl radical (C<sub>6</sub>H<sub>5</sub>) with silane (SiH<sub>4</sub>) under single collision conditions to investigate the chemical dynamics of forming phenylsilane (C<sub>6</sub>H<sub>5</sub>SiH<sub>3</sub>) via a bimolecular radical substi­tu­tion mechanism at a tetra-coordinated silicon atom. Verified by electronic structure and quasiclassical trajectory calculations, the replacement of a single carbon atom in methane by silicon lowers the barrier to substi­tu­ti­on thus defying conventional wisdom that tetra-coordinated hydrides undergo preferentially hydrogen abstraction. This reaction mechanism provides funda­men­tal insights into the hitherto unexplored gas phase chemical dynamics of radical substitution reactions of mononuclear main group hydrides under single collision conditions and highlights the distinct reactivity of silicon compared to its isovalent carbon. This mechanism might be also involved in the synthesis of cyanosilane (SiH<sub>3</sub>CN) and methylsilane (CH<sub>3</sub>SiH<sub>3</sub>) probed in the circumstellar envelope of the carbon star IRC+10216. </p>

Bimolecular Reaction Dynamics of Thiophosgene with O(3P) Atoms

1997 ◽  
Vol 101 (46) ◽  
pp. 8587-8592 ◽  
Author(s):  
K. Ravichandran ◽  
Idelisa Ayala ◽  
Yasuyuki Ishikawa ◽  
Brad R. Weiner
Keyword(s):  
Reaction Dynamics ◽  
Bimolecular Reaction
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