Dynamics of the ion-molecule reaction D2O+ (NH3, NH2) HD2O+ from crossed-beam scattering experiments

1988 ◽  
Vol 53 (10) ◽  
pp. 2168-2174 ◽  
Author(s):  
Jan Vančura ◽  
Zdeněk Herman
Keyword(s):  
Collision Energy ◽  
Intermediate Complex ◽  
Atom Transfer ◽  
Molecule Reaction ◽  
Scattering Experiment ◽  
Critical Configuration ◽  
Beam Scattering

Dynamics of the HD2O+ formation in the reaction of D2O+ and NH3 was investigated in a crossed-beam scattering experiment. At T = 1·5 eV (c.m.) the product is formed simultaneously by two different collision mechanisms, by a direct H-atom transfer and by the decomposition of an intermediate complex (D2O.NH3)+; the probabilities of the two mechanisms are about equal at this collision energy. The scattering makes it possible to suggest that in the critical configuration the intermediate complex is a prolate, near-linear species D2OH+.NH2.

Dynamics of Protonated Acetonitrile Formation in CD3CN+· + CH3CN Collisions: A Crossed-Beam Scattering Study

1998 ◽  
Vol 63 (8) ◽  
pp. 1152-1160 ◽  
Author(s):  
Ján Žabka ◽  
Zdeněk Dolejšek ◽  
Inosuke Koyano ◽  
Zdeněk Herman
Keyword(s):  
Energy Range ◽  
Collision Energy ◽  
Intermediate Complex ◽  
Angular Distributions ◽  
Atom Transfer ◽  
Protonation Reaction ◽  
Beam Scattering ◽  
Reaction Proceeds ◽  
Deuteron Transfer ◽  
Scattering Study

Dynamics of the elementary protonation reaction in collisions of the acetonitrile cation with acetonitrile was investigated in crossed-beam scattering experiments in the hyperthermal collision energy range 1.17-2.5 eV. The reaction proceeds by three parallel collision mechanisms: direct proton (deuteron) transfer, direct H-atom transfer, and decomposition of an intermediate complex. The relative contributions of the three mechanisms to the formation of the product at T = 2.5 eV are about equal. Analysis of product angular distributions suggests that the geometry of the critical configuration of the decomposing intermediate is prolate, not far from linear.

Quantum wave-packet studies on ion–molecule reaction with and without Coriolis-coupling effect

2019 ◽  
Vol 97 (8) ◽  
pp. 864-868
Author(s):  
Xian-Long Wang ◽  
Feng Gao ◽  
Ting Xu ◽  
Qing-Tian Meng ◽  
Shou-Bao Gao
Keyword(s):  
Wave Packet ◽  
Collision Energy ◽  
Energy Surface ◽  
Coupling Effect ◽  
Quantum Scattering ◽  
Coriolis Coupling ◽  
Title Reaction ◽  
Molecule Reaction ◽  
Quantum Wave ◽  
Approximation Calculation

The time-dependent quantum scattering calculation with Chebyshev wave packet propagation scheme has been carried out based on an accurate electronic potential energy surface of H2O+(X4A″). Due to the influence of the deep potential well, the reaction probability of [Formula: see text] shows resonance structures regardless of the Coriolis-coupling (CC) effect or centrifugal sudden (CS) approximation. In the range of collision energy 0.0–1.0 eV, the integral cross section obtained by the CS approximation calculation is smaller than that by the CC calculation, which indicates that the CC effect plays a significant role in the title reaction.

Influence of vibrational excitation and collision energy on the ion‐molecule reaction NH+3(ν2)+ND3

1994 ◽  
Vol 101 (5) ◽  
pp. 3772-3786 ◽  
Author(s):  
Lynmarie A. Posey ◽  
Robert D. Guettler ◽  
Nicholas J. Kirchner ◽  
Richard N. Zare
Keyword(s):  
Collision Energy ◽  
Vibrational Excitation ◽  
Molecule Reaction
Sign in / Sign up

Export Citation Format

Share Document