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研究生:劉建成
研究生(外文):Jian Cheng Liou
論文名稱:拾個化合物單晶結構之決定
論文名稱(外文):Single Crystal Structure Determination of Ten Compounds
指導教授:盧天惠
指導教授(外文):Tian-Huey Lu
學位類別:碩士
校院名稱:國立清華大學
系所名稱:物理學系
學門:自然科學學門
學類:物理學類
論文種類:學術論文
論文出版年:2004
畢業學年度:92
語文別:中文
論文頁數:115
中文關鍵詞:單晶結構X光
外文關鍵詞:single crystalstructureX-ray
相關次數:
  • 被引用被引用:0
  • 點閱點閱:110
  • 評分評分:
  • 下載下載:5
  • 收藏至我的研究室書目清單書目收藏:0
中文摘要
本論文是我在碩士班期間的研究成果。主要包含兩個部分:第一部份為X光繞射的基本原理和解小分子晶體的基礎理論;在第二部分中,則提供描述個人所解的拾個單晶的X光結構,並探討晶體結構的堆疊情形,和分子之間作用力的影響。
拾個單晶的化合物名稱如下:
1. bis-(2-Azido)-bis(2-((N-2-(methylamino)ethyl)iminomeththyl)pyridine-N,N’,N”)-
bis(perchlorato-O)-di-copper(II)
2. Bis-(2,2'-dipyridylamine)-bis-(azide)nickel(II)
monohydrate
3. Diaquo-dithiocyanato-{1-methyl-2-(p-tolylazo)imidazole}nickel(II)
4. Dithiocyanato-bis-(1-methyl-2-(p-tolylazo)imidazole)manganese(II)
5. (1,10-phenanthroline)-bis- {1-methyl-2-(phenylazo)imidazole }ruthenium(II) diperchlorate
6. Bis-{2-(phenylazo)pyridine}-(1,10-phenanthroline)ruthenium(II)
hexafluorophosphate
7. Dichloro-(S-ethyl-(1-ethyl-2-(phenylazo)imidazole-N,N’,S)-copper(II)
8. Dichloro-[1-(pyridyl-methylene-thio)-2-(O-azophe-nol(ato)benzene)iron(III)
9. 1-benzyl-2-(phenylazo)imidazolium chloride
10. 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone dimethyl ether
Abstract
This thesis is my research results during my master degree study. It includes mainly two parts: it contains the basic principle of the X-ray diffraction and the fundamental theory of determining the crystal structures in my first part. In my second part, it provides the structure determination of ten single crystals. The packing of the crystal structures and the influence of the intermolecular interaction are discussed in the thesis.
The compound names of the ten crystals are as following:
1. bis-(2-Azido)-bis(2-((N-2-(methylamino)ethyl)iminomeththyl)pyridine-N,N’,N”)-
bis(perchlorato-O)-di-copper(II)
2. Bis-(2,2'-dipyridylamine)-bis-(azide)nickel(II)
monohydrate
3. Diaquo-dithiocyanato-{1-methyl-2-(p-tolylazo)imidazole}nickel(II)
4. Dithiocyanato-bis-(1-methyl-2-(p-tolylazo)imidazole)manganese(II)
5. (1,10-phenanthroline)-bis- {1-methyl-2-(phenylazo)imidazole }ruthenium(II) diperchlorate
6. Bis-{2-(phenylazo)pyridine}-(1,10-phenanthroline)ruthenium(II)
hexafluorophosphate
7. Dichloro-(S-ethyl-(1-ethyl-2-(phenylazo)imidazole-N,N’,S)-copper(II)
8. Dichloro-[1-(pyridyl-methylene-thio)-2-(O-azophe-nol(ato)benzene)iron(III)
9. 1-benzyl-2-(phenylazo)imidazolium chloride
10. 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone dimethyl ether
總目錄
中文摘要 I

英文摘要 II

誌謝 III

總目錄 IV

圖目錄 V

表目錄 VIII


第一部份

一、X-ray結晶學與晶體的簡介 1
二、空間群與晶體對稱 3
三、倒晶格空間、布拉格定律與厄瓦特球 5
四、實驗儀器設備 7
五、結構因數與相位問題 9
六、初步相位決定 11
七、結構的建立與精算 14
八、流程圖 17

第二部分

解晶方法以及晶體資料一覽 18
晶體結構(I) 19
晶體結構(II) 27
晶體結構(III) 37
晶體結構(IV) 47
晶體結構(V) 55
晶體結構(VI) 64
晶體結構(VII) 74
晶體結構(VIII) 83
晶體結構(IX) 92
晶體結構(X) 101
結論與討論 110
參考文獻 113
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