Alkali halide clusters: Experiment and theory Book Chapter

Fernandez-Lima, F, da Silveira, EF, Nascimento, MAC. (2013). Alkali halide clusters: Experiment and theory . 1-38.

cited authors

  • Fernandez-Lima, F; da Silveira, EF; Nascimento, MAC

authors

abstract

  • The study of alkali halide cluster and cluster-assembled materials has revealed that they present unique physical and chemical properties that are quite different from those of the corresponding bulk crystals. In particular, alkali (X) halide (Y) cluster ions are commonly observed in the forms (XY)n-1,0,+1, (XY)nX0,+1 and (XY)nY0,-1 and their properties vary as a function of their size, charge and nature of atomic constituents, i.e., their properties are intimately related to the X and Y constituent electronic densities. A detailed characterization of each member of a cluster ion series permits a better understanding of the cluster properties. Theoretical calculations can be very useful in predicting atomic and molecular properties or parameters which might be difficult to verify experimentally such as binding energies, ionization potentials, vibration frequencies, and fragmentation patterns of atomic and molecular clusters. They can also be helpful in the interpretation of experiments by providing details of the geometrical configurations and of the electronic density distribution. In the present chapter, we will mainly focus on experimental data of charged species emitted from alkali halide targets and theoretical predictions of their relative stability, fragmentation energies and charge distributions. We will cover small cluster systems (e.g., n = 1 - 5) to nanometric size clusters (e.g., n = 20 - 40). © 2013 Nova Science Publishers, Inc. All rights reserved.

publication date

  • April 1, 2013

International Standard Book Number (ISBN) 13

start page

  • 1

end page

  • 38