Dynamics of electron localization, solvation, and migration in polar molecular clusters

Journal Article · Mon Jan 02 04:00:00 EST 1989 · Phys. Rev. Lett.; (United States)

DOI:https://doi.org/10.1103/PhysRevLett.62.106· OSTI ID:6564967

Barnett, R N; Landman, U; Nitzan, A

The time evolution of electron localization, migration, and solvation in ammonia clusters is investigated via computer simulations. The attachment of an electron to a cold molecular cluster in a diffuse weakly bound surface state, the dynamics of solvation, the nonhopping mechanism of migration leading to the formation of an internally solvated state, and the spectral manifestation of these processes are demonstrated.

• Research Organization: School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332 School of Chemistry, Tel Aviv University, 69978, Tel Aviv, Israel
• OSTI ID: 6564967
• Journal Information: Phys. Rev. Lett.; (United States), Journal Name: Phys. Rev. Lett.; (United States) Vol. 62:1; ISSN PRLTA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360603* -- Materials-- Properties
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400400 -- Electrochemistry
AMMONIA
BOUND STATE
COMPUTERIZED SIMULATION
DIFFUSION
ELECTRICAL PROPERTIES
ENERGY LEVELS
HYDRIDES
HYDROGEN COMPOUNDS
MOLECULES
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POLARIZABILITY
RANDOMNESS
SIMULATION
SOLVATION
TIME DEPENDENCE
WATER