A standard close coupling method is applied to collision-induced dissociation in a non-reactive He+H, system. The dissociative continuum is approximately described with a set of discrete states which are obtained by confining the internuclear motion of Hz in a box. The scattering is assumed to proce
A close-coupling study of collision-induced dissociation in He + H2
β Scribed by K. Nobusada; K. Sakimoto; K. Onda
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 471 KB
- Volume
- 233
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The previous quantum mechanical close-coupling study of the dissociative collisions in He + Hz (T-shape configuration) by the present authors [Chem. Phys. Letters 216 (1993) 6131 has been extended to a wide range of the total energy 4.8-7.5 eV. The dissociation process shows a clear vibrational enhancement. The dissociation probability has an undulation as a function of the total energy, and by using classical S-matrix theory it is shown that this feature is caused by interference of the contributions of multiple trajectories.
π SIMILAR VOLUMES
A new close-coupling scheme for rhe numerical calculation of quantum-mechanical probabilities for collision-induced dissociation of a diatomic molecule by an atom is presented. Fully converged preliminary results for a collinear model are given for the first time.
The semi-classical coupled wavepacket method is used to investigate the dissociative charge exchange reaction He+ +H2( IJ= O-4 ) +He + H + H+ and the vibronic excitation reaction He+ + H2( v= O-4) +He+ + Hz (u' ) . The center of mass collision energy ranges from 2 to 10 eV. The cross sections strong
2 O as ionizing reagents, is discussed. The negative chemical ionization mass spectra show that, in the absence of a hydroxy group in the aromatic ring, deprotonation takes place at the benzylic position whereas the proton is lost from the OH group when present. The nitro compound forms only M ΓΓ io
## Abstract Collisionβinduced dissociation of the molecular ions and of some of the fragment ions foremed on ionization of methanol, ethanol and nβpropnol have been studied at high energy resolution in a mass spectrometer. The translational energy lost upon collision and the kinetic energy released