文摘
英文文摘
CHAPTER 1 EXORDIUM
§ 1.1 BRIEF OVERVIEW OF CLUSTERS SCIENCE
§ 1 .2 EXPERIMENTAL AND THEORETICAL STUDY OF CLUSTER
§ 1.2.1 Cluster sources
§ 1.2.2 Experimental method
§ 1.2.3 Theoretical method
§ 1.3 CARBON CLUSTERS
§ 1.3.1 Fullerenes
§ 1.3.2 Small carbon clusters
§ 1.4 SULFUR CLUSTERS
§ 1.4.1 Neutral sulfur cluster
§ 1.4.2 Anionic sulfur cluster
§1.4.3 Cationic sulfur cluster
§ 1.5 C/S BINARY CLUSTERS
REFERENCE
CHAPTER 2 EXPERIMENTAL INSTRUMENT AND THEORETICAL STUDY METHOD
§2.1 TANDEM TIME OF FLIGHT MASS SPECTROMETER (TOFMS)
§2.2 AB INITIO CALCULATION METHOD
REFERENCE
CHAPTER 3 LASER VAPORIZED MASS SPECTRA AND THE CID EXPERIMENT OFCARBON/SULFUR BINARY CLUSTER ANIONS
§3.1 CARBON/SULFUR BINARY CLUSTER ANIONS
§3.2 COLLISION INDUCED DISSOCIATION EXPERIMENT OF C/S CLUSTERS
CHAPTER 4 STUDIES ON C/S CLUSTER ANIONS PRODUCED BY LASER VAPORIZATION: EXPERIMENT AND THEORY FOR C2SM4- (1≤M≤11)
§4.1 INTRODUCTION
§4.2 EXPERIMENTAL SETUP
§4.3 EXPERIMENTAL RESULTS
§4.4 COMPUTATIONAL DETAILS
§4.5 CALCULATION RESULTS
§4.5.1 Relative stability of isomeric structures
§4.5.2 Geometry and charge distributions of the isomers
§4.6 DISCUSSION AND CONCLUDING REMARKS
§4.6.1 Formation of C2Sm- clusters
§4.6.2 Structural feature of C2Sm- clusters
§4.5.3 Dissociation of C2Sm- clusters
§4.5.4. Effect of the negative charge on C2Sm- clusters
REFERENCE
CHAPTER 5 DENSITY FUNCTIONAL STUDY OF C2SM-(2≤ M≤10) CLUSTERS
§5.1 INTRODUCTION
§5.2 COMPUTATIONAL DETAILS
§5.3 RESULTS AND DISCUSSION
§5.3.1 Relative stability of isomeric structures
§5.3.2 Geometry and symmetry
§5.3.3 Electron density distribution and charge population
§5.3.4 Vibration frequency and other structural parameters
§5.4 SUMMARY AND CONCLUDING REMARKS
REFERENCE
CHAPTER 6 STUDIES ON C/S CLUSTER ANIONS PRODUCED BY LASER VAPORIZATION: EXPERIMENT AND THEORY FOR C4SM-(4≤M≤10)
§6.1 INTRODUCTION
§6.2 EXPERIMENTAL SETUP
§6.3 EXPERIMENTAL RESULTS
§6.4 COMPUTATIONAL DETAILS
§6.5 CALCULATION RESULTS
§6.6 DISCUSSION
REFERENCE
CHAPTER 7 SEARCH FOR THE NEW STRUCTURE OF C4SM-(4≤M≤10) BY DENSITY FUNCTIONAL THEORY STUDY
§7.1 INTRODUCTXON
§7.2 COMPUTATIONAL DETAILS
§7.3 RESULTS AND DISCUSSION
§7.3.1 Search for the most stable structure
§7.3.2 Structure property
§7.3.3 Relative Stability
§7.3.4 Charge population and molecular orbital analysis
§7.3.5 Vibrational Frequency
§7.3.6 Dissociation Energy and Scheme
REFERENCE
CHAPTER 8 SUMMARY AND PROSPECTS
§8.1 GENERATION OF THE CARBON/SULFUR BINARY CLUSTERS
§8.2 DISTRIBUTION OF THE MASS SPECTRA
§8.3 COLLISION INDUCED DISSOCIATION EXPERIMENT
§8.4 THEORETICAL STUDY
§8.5 PROSPECTS AND THE FUTURE WORK
APPENDIX Publications during the author's Ph.D. study
ACKNOWLEDGEMENTS
