AASERT 98: Investigations of New Classes of Molecular Materials
Abstract
As one phase of our recent program, we undertook studies to determine accurate values of the ionization potentials of Met-Cars. Attention was directed to determining the shapes of the threshold functions for the titanium and zirconium systems. The findings are of value in furthering knowledge of the electronic properties, but also in order to understand their structures. Particular attention continued to be focused on both the pure-metal and mixed-metal Met-Cars of the stoichiometry Tis-xZrxCi2 (x = 0-4, 8) since these are species where there have been particular discrepancies with the literature values. As discussed below, knowledge of their IP's is also important to unravel the unique observed delayed ionization of these species. In addition. comparison between theoretically predicted and experimentally measured IP's provides a good test for both types of investigation, which hence bridges the gap between theoretically constructed pictures of Met-Cars and experimental observations.
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 31, 2001
- Accession Number
- ADA391493
Entities
People
- A. W. Castleman Jr.
Organizations
- Pennsylvania State University