Accession Number : ADA257828


Title :   Chemical Reactions in Clusters


Descriptive Note : Technical rept.


Corporate Author : COLORADO STATE UNIV FORT COLLINS DEPT OF CHEMISTRY


Personal Author(s) : Bernstein, Elliot R


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a257828.pdf


Report Date : 04 Nov 1992


Pagination or Media Count : 56


Abstract : Four different classes of cluster chemical reactions are reviewed and specific examples from our laboratory are given for each class. Solvent induced electron transfer reactions are illustrated by our studies of 4- dimethylaminobenzonitrile/acetonitrile clusters. The electron transfer reaction depends on solvent polarity and on cluster structure. The reaction is induced by only one properly oriented CH 3 CN solvent molecule. Proton transfer reactions in neutral clusters are exemplified by the 1-naphthol/ammonia cluster system. Proton transfer occurs in the first excited singlet state of the 1-naphthol (NH 3)3 cluster of the proper geometry. Two time decays are measured for this event: one dealing with proton transfer and the other with solvent reorganization or relaxation following the transfer event. Isotope, energy, cluster size dependence, and model calculations demonstrate a proton tunneling mechanism is appropriate for this reaction. Cluster ion chemistry for toluene, toluene-d3, benzyl alcohol, benzyl-alpha, alpha-d2 alcohol, benzyl-alpha, a-Me2 alcohol/ammonia and water clusters is also discussed. These ionic reactions are characterized by benzyl-like radical formation, solvation of protons, and extensive cluster fragmentation following both ion formation and proton transfer. Finally, a preliminary study of radical reactions in clusters is presented for the benzyl radical clustered with ethylene, propylene, and actylene.


Descriptors :   *CHEMICAL REACTIONS , IONS , PARTICLE SIZE , MODELS , FRAGMENTATION , ACETONITRILE , CHEMICALS , MOLECULES , NEUTRAL , WATER , ENERGY , STRUCTURES , PROTONS , AMMONIA , TIME , SURFACES , ETHYLENE , CHEMISTRY , ACETYLENES , NAPHTHALENES , TOLUENES , ALCOHOLS , BENZYL RADICALS , HYDROXYL RADICALS , DECAY , POLARITY , ELECTRON TRANSFER , TUNNELING , SOLVATION , POTENTIAL ENERGY , TRANSFER , RELAXATION , LABORATORIES , SOLVENTS , GEOMETRY , ISOTOPES , ELECTRONS , PROPENES


Subject Categories : Organic Chemistry
      Physical Chemistry
      Solid State Physics


Distribution Statement : APPROVED FOR PUBLIC RELEASE