University of Illinois Urbana-Champaign

(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

Janicki, Slawomir Zbigniew

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Description

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
Issue Date
1998
Doctoral Committee Chair(s)
Petillo, Peter A.
Department of Study
Chemistry
Discipline
Chemistry
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Chemistry, Physical
Language
eng
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.
Graduation Semester
1998
Type of Resource
text
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http://hdl.handle.net/2142/84424

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