臺灣博碩士論文加值系統

本論文分為二部份:第一部份為離子阱質譜儀的模擬研究,第二部份使
用快速原子撞擊譜譜應用於主客化學現象的研究.離子阱質譜儀模擬的研
究,主要在研究離子阱質譜儀中的碰撞冷卻效應(collisional cooling
effect),在離子阱質譜儀中由於有緩衝氣體(buffer gas)的存在,可以提
升離子阱質譜儀的靈敏度及解析度,因此針對許多種不同條件及狀況下模
擬計算離子動能的變化以探討碰撞冷卻效應.此研究使用SIMION 3D的模擬
程式.研究內容包含了緩衝氣體對不同質量離子的影響,不同離子阱電極的
內半徑(r0),qz值,不同緩衝氣體的壓力,不同溫度,不同種類的緩衝氣體及
混合的緩衝氣體對於碰撞冷卻效應的影響. 第二部份為使用快速
原子撞擊游離法以研究冠狀醚與一系列金屬離子的錯合現象.使用的金屬
離子包括鹼金族離子,鹼土族離子,過渡金屬離子及鋁離子.在此研究中發
現冠狀醚與鹼金族離子形成[冠狀醚+M]+的鍵結.鹼土族離子與冠狀醚形成
[冠狀醚+MCl]+或少量[冠狀醚+MOH]+的鍵結,過渡金屬離子與冠狀醚形成[
冠狀醚+MCl]+的鍵結,其中M代表金屬離 子.而鋁離子只以Al(OH)2+的形式
與冠狀醚形成[冠狀醚+Al(OH)2]+的離子.在此研究中可觀察到金屬離子與
冠狀醚鍵結後會有許多中性小分子碎片的產生,如C2H4及C2H4O的掉落,而
Cyclen與鹼金屬離子鍵結後則會有C2H4NH碎片的產生.

This thesis includes two projects: the first project is
simulate the collisional cooling effect of an ion trap mass
spectrometer and the second project is to utilize FAB mass
spectrometry to study the host-guest complexation phenomenon.
The existence of buffer gas can promote the sensitivity and
resolution of an ion trap mass spectrometer. Thus, the main goal
of this project is to examine the collisional cooling effect of
helium gas on ion trapping and detection in an ion trap mass
spectrometer: six parameters that affect the collisional cooling
of ions are evaluated: the existence and the pressure of the
buffer gas; the temperature of the ion trap; the radius of the
ion trap electrodes; the mass to charge ratio of ions and qz
value which establishes the ion trap trapping environment.
Mixture of several kinds of buffer were also investigated to
account for the collisional cooling effect. The method for
conducting this project was by using the simulation program of
SIMION 3D program which were developed by Lockheed Idaho
Technologies Company. The second project is to apply FAB mass
spectrometry to study host-guest complexation for reactions of
crown ethers with metal ions in solution. An array of crown
ethers including 12-crown-4, 15-crown-5, 18-crown-6 and
cyclenwere examined with various metal ions. The results have
shown that for most complexation ions that tend to lose a small
neutral molecular such as C2H4, C2H4O for crown ethers or C2H4NH
for cyclen. Alkali metal ions and transition metal ions form
MCl+ type of cations to interact with crown ethers; alkali
earthmetal ions may form either MCl+ or MOH+ type of ions to
bind with crown ethers.But aluminum ions only form Al(OH)2+ ions
to bind with crown ethers.