Degree Type

Dissertation

Date of Award

1985

Degree Name

Doctor of Philosophy

Department

Chemistry

Abstract

Patterson manipulation methods and direct methods, such and those employing the well-known (SIGMA)(,2) relation, are often viewed as being distinctly different approaches to structure determination. In the first part of this thesis a method which combines the two approaches while retaining the advantages of both was developed;The basic assumption used in our method is that (rho)('2) (TURN) M(,ps) (.) (rho), where (rho) and M(,ps) are the electron density and Patterson superposi- tion functions, respectively. This results in a (SIGMA)(,2)-like relation in reciprocal space in which one of the E's in the product is replaced by G, a structure factor-like quantity obtained from a Fourier trans- form of the Patterson superposition function;This new relation has been proven to be effective in both centric and acentric cases. The details of the theory and its application to both model and real structures are presented;The construction and development of an in-lab EXAFS facility using a rotating anode X-ray source are presented in the second part of this thesis. These include spectrometer alignment, automa- tion, tests of the electronic detector systems, improvement of the;energy resolution and developments of both data acquisition and data reduction programs; ('1)DOE Report IS-T-1221. This work was performed under contract No. W-7405-Eng-82 with the U.S. Department of Energy.

DOI

https://doi.org/10.31274/rtd-180813-11881

Publisher

Digital Repository @ Iowa State University, http://lib.dr.iastate.edu/

Copyright Owner

Sue-Lein Wang Lii

Language

en

Proquest ID

AAI8604490

File Format

application/pdf

File Size

242 pages

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