Molecular dynamics simulations of the dissociation of I, embedded in large Ar, (n = 319, 553) clusters, which impact at high velocities (u = 7-15 km s-l> on Pt surfaces, result in information on heterogeneous and homogeneous dissociation mechanisms. A broad distribution of dissociation lifetimes is
Spectroscopy of large molecules in inert gas clusters
โ Scribed by A. Amirav; U. Even; Joshua Jortner
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 466 KB
- Volume
- 72
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
AromatIc hydrocarbons prowde nuclcatlon centers for the formatlon of clusters of mert gases m high-flow supcrson~c beams Large clusters of Ar, each containmg a smgk tetracene (T) molecule, were prepared by supersomc expannon of the seeded gas at prequresp = 3000-13000 Torr and mterrogated by laser-mduced fluorescence spectroscopy Evidence is reported for homogeneous lme broadenmg of large TAr, clusters prepared at p 3 8000 Torr. There has been conslderable progress KI the understanding of excited-state tntramolecular dynamics in large molecules [ l-31.
๐ SIMILAR VOLUMES
The unimolecular decomposition of single ethylene ions in association with argon clusters containing more than 100 atoms has been observed. Fragmentation on these large clusters provides strong support for the proposal that a charge-transfer mechanism is responsible for exciting the molecular ions.
## Abstract By examining the displacement coordinate metric three modes of constrained optimization for large molecules and clusters are suggested. The first method corresponds to a conventional optimization using internal coordinates. The second mode has applications with respect to both internal