Fong Ching-yee. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2002. / Includes bibliographical references (leaves 72-76). / Abstracts in English and Chinese. / ABSTRACT (English Version) --- p.iii / ABSTRACT (Chinese Version) --- p.v / ACKNOWLEGEMENT --- p.vi / TABLE OF CONTENTS --- p.vii / LIST OF TABLES --- p.ix / LIST OF FIGURES --- p.xi / LIST OF APPENDICES --- p.xiii / Chapter CHAPTER ONE --- Introduction / Chapter 1.1 --- Importance and Recent Development in Metalloporphyrin --- p.1 / Chapter 1.2 --- Structure of Metalloporphyrin --- p.2 / Chapter 1.3 --- General Properties of Metalloporphyrin --- p.4 / Chapter 1.4 --- Linkage Patterns of Metalloporphyrin Polymers --- p.7 / Chapter 1.5 --- Reasons for Studying Co-Por-Au Polymer --- p.10 / Chapter CHAPTER TWO --- Cobalt Porphyrin Gold (Co-Por-Au) Polymer Model / Chapter 2.1 --- Synthetic Scheme --- p.13 / Chapter 2.2 --- Experimental Results and Related Properties --- p.14 / Chapter 2.3 --- The Structure of Co-Por-Au Polymer --- p.18 / Chapter CHAPTER THREE --- Structure Characterization of Co-Por-Au Polymer by DFT Method / Chapter 3.1 --- Quantum Chemical Calculations --- p.21 / Chapter 3.2 --- Density Functional Theory --- p.22 / Chapter 3.3 --- Computational Details --- p.24 / Chapter 3.4 --- Justification for using Gaussian 98 and VASP --- p.27 / Chapter 3.5 --- Results and Discussions --- p.30 / Chapter 3.5.1 --- Monomers of TPHP and TPCNP --- p.30 / Chapter 3.5.1.1 --- The Geometry of the Monomer Structures of TPhP and TPCNP --- p.30 / Chapter 3.5.1.2 --- The Axial Coordination Mode of Monomer in TPhP and TPCNP --- p.34 / Chapter 3.5.1.3 --- Comparison between Hybrid DFT and Pure DFT method --- p.38 / Chapter 3.5.1.4 --- Comparison with Other Porphyrin System --- p.40 / Chapter 3.5.1.5 --- Summary --- p.43 / Chapter 3.5.2 --- Polymers of TPhP and TPcnP --- p.44 / Chapter 3.5.2.1 --- (μ-pyrazine)(octaethylporphyrinato)iron(II) {[Fe(OEP)pyz]}n --- p.44 / Chapter 3.5.2.2 --- Energetic Comparison of TPHP and TPCNP with Different Axial Coordination Modes --- p.46 / Chapter 3.5.2.3 --- Geometry of the Repeating Units in the Polymer of TPhP and TPCNP --- p.48 / Chapter 3.5.2.4 --- Comparison with Other Porphyrin System --- p.52 / Chapter 3.5.2.5 --- The Electronic Structures of TPHP and TPCNP --- p.55 / Chapter 3.5.2.6 --- Summary --- p.58 / Chapter CHAPTER FOUR --- Conclusion --- p.59 / APPENDIX I-III --- p.61 / REFERENCES --- p.72
| Identifer | oai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_324072 |
| Date | January 2002 |
| Contributors | Fong, Ching-yee., Chinese University of Hong Kong Graduate School. Division of Chemistry. |
| Source Sets | The Chinese University of Hong Kong |
| Language | English, Chinese |
| Detected Language | English |
| Type | Text, bibliography |
| Format | print, xiii, 76 leaves : ill. ; 30 cm. |
| Rights | Use of this resource is governed by the terms and conditions of the Creative Commons “Attribution-NonCommercial-NoDerivatives 4.0 International” License (http://creativecommons.org/licenses/by-nc-nd/4.0/) |
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