Chiu Lai Fan. / Thesis submitted in: December 2004. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2005. / Includes bibliographical references (leaves [74-77]). / Abstracts in English and Chinese. / ABSTRACT (ENGLISH) --- p.iii / ABSTRACT (CHINESE) --- p.v / ACKNOWLEDGMENTS --- p.vi / TABLE OF CONTENTS --- p.vii / LIST OF FIGURES --- p.ix / LIST OF TABLES --- p.xi / LIST OF SYMBOLS --- p.xiii / Chapter CHAPTER ONE --- INTRODUCTION AND BACKGROUND --- p.1 / Chapter 1.1 --- Introduction --- p.1 / Chapter 1.2 --- The nature of hydrogen bonding interactions --- p.2 / Chapter 1.3 --- Evidences of hydrogen bonding interactions --- p.4 / Chapter 1.4 --- Three-centered hydrogen bond --- p.4 / Chapter 1.4.1 --- Literature review of three-centered H-bonds --- p.6 / Chapter 1.4.2 --- Review of three-centered H-bonds characterization --- p.8 / Chapter 1.5 --- Cooperative effect --- p.12 / Chapter 1.6 --- Scope of thesis --- p.13 / Chapter CHAPTER TWO --- THEORY AND METHODOLOGY --- p.15 / Chapter 2.1 --- Introduction --- p.15 / Chapter 2.2 --- Theory --- p.16 / Chapter 2.2.1 --- Density Functional Theory (DFT) --- p.16 / Chapter 2.2.2 --- Natural Bonding Orbital Theory (NBO) --- p.19 / Chapter 2.2.3 --- Spin-Spin coupling constants --- p.22 / Chapter 2.2.4 --- Wiberg Bond Index --- p.24 / Chapter 2.3 --- Methodology --- p.25 / Chapter CHAPTER THREE --- RESULTS AND DISCUSSION --- p.32 / Chapter 3.1 --- The nature of three-centered hydrogen bond interaction --- p.32 / Chapter 3.1.1 --- Geometries --- p.32 / Chapter 3.1.2 --- Natural bond orbital analysis - Donor-acceptor interactions --- p.41 / Chapter 3.1.3 --- Spin-Spin coupling across the hydrogen bonds --- p.46 / Chapter 3.1.4 --- Wiberg bond index --- p.51 / Chapter 3.1.5 --- Proton transfer -Hydrogen bond strengths on the effect of remote proton transfer --- p.53 / Chapter 3.1.6 --- Cooperactive character in hydrogen bonding clusters --- p.65 / Chapter CHAPTER FOUR --- CONCLUSING REMARKS --- p.71 / REFERENCES / APPENDIX
| Identifer | oai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_325358 |
| Date | January 2005 |
| Contributors | Chiu, Lai Fan., 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, 73, [8] 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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