Files in this item



application/pdf9912281.pdf (14MB)Restricted to U of Illinois
(no description provided)PDF


Title:(1) Artificial Synovial Fluid and Cartilage. (2) Non-Manumitative GD3+ Hosts as MRI Contrast Agents. (3) Five-Member Heterocycles as Switchable Ferromagnetic Coupling Units. (4) Liquid Crystal Opto-Optical Switch: Non-Destructive Information Retrieval Based on a Photochromic Fulgide as Trigger
Author(s):Janicki, Slawomir Zbigniew
Doctoral Committee Chair(s):Petillo, Peter A.
Department / Program:Chemistry
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):Chemistry, Physical
Abstract:Chapter III describes a series of 1,3-, 2,5-, and 2,4-dimethylene five-member heterocycles as new ferromagnetic coupling units. Full geometry optimization of structures with heteroatoms ranging from Be to O and from Mg to S at the CASSCF level with energy calculation at the MCQPDT2 level allowed for the discovery of four triplet ground state 2,5-dimethylene heterocycles. The series of 2,4-dimethylene heterocycles yields a family of acid-base driven magnetic switches in which the ground state multiplicity can be changed with protonation, a previously unknown phenomenon. Analysis of the wavefunction revealed that these seemingly disparate groups belong to one superfamily and their properties can be described by a single relationship. The energetic limits of the singlet and triplet preference are found to be -55 kcal/mol and 13 kcal/mol.
Issue Date:1998
Description:378 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1998.
Other Identifier(s):(MiAaPQ)AAI9912281
Date Available in IDEALS:2015-09-25
Date Deposited:1998

This item appears in the following Collection(s)

Item Statistics