Studies of Nuclear Quadrupole Effects in Transition Metal Complexes by Electron Paramagnetic Resonance

Predictions of the nuclear quadrupole coupling constants for octahedral copper(II) and the applicability of computer simulation methods to extract quadrupole coupling data from EPR of powders were confirmed with ('63)Cu and ('65)Cu doped into MgSO(,4)(.)7D(,2)O as a test case. From orientation-dependent EPR spectra of each isotope, both as oriented single crystals and as powders, the following spin-Hamiltonian is deduced for ('63)Cu: (')H = (beta) B(.)g(.)S(' )+(' )hI(.)A(.)S - g(,n) (beta)(,n) B(.)I(' )+(' )QD(I(,z)('2)-5/4) + QE(I(,x)('2)-I(,y)('2)).

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Chemistry

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2014

Author dc:creator

• Duliba, Edward Paul

• Chemistry, Physical

Identifier

(UMI)AAI8309935

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/70210