Infrared Spectroscopy of Nonclassical Ions and Their Complexes

국문 초록 (Abstract)

이온트랩 진동선분해 분광기술에 바탕을 둔 적외선분광법을 사용하여 비고전성이온인 카보늄이온들과 그응집체들의 구조와 그들의 동력학을 연구하였음.
카보늄이온들은 비고전성이온들의 대표적인 분자들로서 저온에서도 일정한 구조를 갖지않고 계속적으로 변화를 한다는 사실을 실험적으로 처음으로 규명을 하였음.
특히 이런 변동운동은 응집체가 됨에따라 천천히 일어나고 그응집체의 크기가 커짐에따라 완전히 멈춘다는 현상이 발견되었음.
이와같이 실험적으로 발견된 현상을 양자역학적인 계산을 통하여 규명을 하였음.

목차 (Table of Contents)

• Abstract = 1
• Dedication = ⅲ
• Acknowledgments = ⅸ
• CHAPTER Ⅰ. The Experimental Apparatus = 1
• 1. INTRODUCTION = 1
• 2. THE EXPERIMENTAL APPARATUS = 2
• 2.1 The Continuous Corona Discharge Ion Source = 2
• 2.2 The 1st Mass Selection and Ion Trapping = 5
• 2.3 The 2nd Mass Selection and Ion Detector = 7
• 2.4 Infrared Light Source = 8
• REFERENCES
• FIGURE CAPTIONS
• FIGURES = 11
• CHAPTER Ⅱ. The Carbonium Ion, CH_5^+
• 1. INTRODUCTION = 13
• 2. AB INITIO MOLECULAR DYNAMICS (MD) CALCULATIONS = 17
• 3. INFRARED SPECTROSCOPY OF CH_5^+ = 21
• REFERENCES = 26
• TABLES = 28
• FIGURE CAPTIONS = 32
• FIGURES = 33
• CHAPTER Ⅲ. Infrared Spectroscopy of the Molecular Hydrogen Solvated Carbonium Ions, CH_5^+(H₂)_n (n=1-6) = 38
• 1. INTRODUCTION = 38
• 2. EXPERIMENTAL DETAILS = 42
• 3. RESULTS AND ANALYSIS = 46
• 3.1 Internally Cold CH_5^+(H₂)_n Ions = 46
• 3.2 Infrared Spectra = 47
• CH_5^+(H₂) = 48
• CH_5^+(H₂)₂ = 51
• CH_5^+(H₂)₃ = 52
• CH_5^+(H₂)₄ = 54
• CH_5^+(H₂)_n(n=5,6) = 5
• 4. DISCUSSION = 57
• 4.1 Dynamics of CH_5^+ in CH_5^+(H₂)_n (n=O-6) = 57
• 4.2 Stabilities and structures of CH_5^+(H₂)_n (n=1-6) = 61
• 5. SUMMARY = 64
• REFERENCES = 65
• TABLES = 67
• FIGURE CAPTIONS = 70
• FIGURES = 72
• APPENDIX = 79
• REFERENCES = 87
• FIGURE CAPTIONS = 89
• FIGURES = 90
• CHAPTER Ⅳ. Infrared Spectroscopy of the Solvated Carbonium Ions, CH_5^+(A)_x(B)_y (A,B=H₂,Ar,N₂,CH₄;x,y=0-5) = 93
• 1. INTRODUCTION = 93
• 2. EXPERIMENTAL DETAILS = 96
• 3. RESULTS AND ANALYSIS = lOO
• 3.1 Mono-solvated carbonium ions, CH_5^+(A) = 100
• CH_5^+(H₂) = 101
• CH_5^+(Ar) = 101
• CH_5^+(N₂) = 102
• CH_5^+(CH₄) = 103
• 3.2 Di-solvated carbonium ions, CH_5^+(A)(B) = 104
• CH_5^+(H₂)₂ = 105
• CH_5^+(Ar)₂ = 105
• CH_5^+(Ar)(CH₄) = 106
• CH_5^+(CH₄)₂ = 107
• 3.3 Tri-solvated carbonium ions, CH_5^+(A)(B)(C) = 108
• CH_5^+(H₂)₃ = 108
• CH_5^+(Ar)₂(CH₄) = 109
• CH_5^+(Ar)(CH₄)₂ = 109
• CH_5^+(CH₄)₃ = 110
• 3.4 Tetra- and penta-solvated carbonium ions, CH_5^+(A)_4.5 (A=CH₄) = 112
• 4. DISCUSSION = 114
• 4.1 Vibrational assignment of the feature in 2500-2700 cm^-1 = 114
• 4.2 Dynamics of CH_5^+ cores in CH_5^+(A)_x(B)_y (A,B=H₂,Ar,N₂,CH₄;x,y=0-5) = 116
• 4.3 Structures of CH_5^+(A)_x(B)_y (A,B=H₂,Ar,N₂,CH₄;x,y=0-5) = 120
• 4.4 Proton transfer in CH_5^+(CH₄) = 124
• 5. SUMMARY = 129
• REFERENCES = 131
• TABLES = 134
• FIGURE CAPTIONS = 138
• FIGURES = 140
• CHAPTER Ⅴ. Infrared Spectroscopy of the Silanium Ion, SiH_5^+ = 152
• 1. INTRODUCTION = 152
• 2. EXPERIMENTAL DETAILS = 154
• 3. GROUP THEORETICAL TREATMENT = 157
• 4. RESULTS AND ANALYSIS = 160
• REFERENCES = 163
• TABLES = 165
• FIGURE CAPTIONS = 171
• FIGURES = 172