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研究生:康良豪
研究生(外文):Liang-haur Kang
論文名稱:八個單晶結構之決定
論文名稱(外文):Structure Determination of
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:2003
畢業學年度:91
語文別:中文
論文頁數:103
中文關鍵詞:布拉格定律厄瓦球氫鍵
外文關鍵詞:Bragg's lawEwald sphereHydrogen bond
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本論文是我在碩士班期間研究的八顆單晶結構的成果報告。本論文包含兩個部分:在第一部份裡,回顧X光結晶學的基本原理,其中包括了厄瓦球與布拉格繞射定理;而在第二部分裡,則討論了我所解的八顆單晶的結構,裡面也探討其鍵長、鍵角以及分子之間的作用力等,此八顆晶體如下:
單晶結構1 1-(N,N-diethyl)-2-[2-(pyridyl) benzylidene] ethane triazido cobalt(III)
單晶結構2 Bis-[1-ethyl-2-(p-tolylazo)] imidazole diazido copper(II)
單晶結構3 1,3-Bis[2-(pyridyl) benzylidene] propane azido copper(II) perchlorate
單晶結構4 1,4-Bis-[2-(pyridyl) benzylidene] butane diazido cadmium(II)
單晶結構5 Bis-(μ-1,4-pyrazine)-diselenocyanate cadmium(II) Polymer
單晶結構6 Bis[(4,4,-dipyridyl) disulfide]-bis[dicyano imide] diaquo manganese(II) (4,4,-dipyridyl) disulfide
單晶結構7 2,6-Bis(2-phenylazo) pyridine
單晶結構8 1,2-Bis(4-pyridyl) ethene monohydrate

This thesis is the report on the research work of crystal structure determination of eight compounds during my master degree study. It contained two parts: Part I. reviews the basic principle of X-ray structure determination; such as the relationship between Ewald sphere and Bragg’s law. Part II. comprises the eight crystal structures I solved. The structures are as following:
Crystal 1. 1-(N,N-diethyl)-2-[2-(pyridyl) benzylidene] ethane triazido cobalt(III)
Crystal 2. Bis-[1-ethyl-2-(p-tolylazo)] imidazole diazido copper(II)
Crystal 3. 1,3-Bis[2-(pyridyl) benzylidene] propane azido copper(II) perchlorate
Crystal 4. 1,4-Bis-[2-(pyridyl) benzylidene] butane diazido cadmium(II)
Crystal 5. Bis-(μ-1,4-pyrazine)-diselenocyanate cadmium(II) Polymer
Crystal 6. Bis[(4,4,-dipyridyl) disulfide]-bis[dicyano imide] diaquo manganese(II) (4,4,-dipyridyl) disulfide
Crystal 7. 2,6-Bis(2-phenylazo) pyridine
Crystal 8. 1,2-Bis(4-pyridyl) ethene monohydrate

目錄:
Part I. 基本原理闡述......................... 0
1. 晶體 …………………………………………1
2. 倒晶格空間 ..………………………………2
3. 布拉格定律與厄瓦特球………………………3
4. 空間群與對稱性 ……………………………4
5. 結構因素與相位問題 ………………………4
6. 結構建立與精算 ……………………………8
7. 小分子晶體結構求解方塊圖 ………………11
8. 建立分子模型 ………………………………12
9. 作用力 .……………………………………13
Part II. 八個單晶結構的描述………………………15
1. 單晶結構1 ……………………………….16
1-(N,N-diethyl)-2-[2-(pyridyl) benzylidene] ethane triazido cobalt(III)
2. 單晶結構2 ………………………26
Bis-[1-ethyl-2-(p-tolylazo)] imidazole diazido copper(II)
3. 單晶結構3 ………………………………37
1,3-Bis[2-(pyridyl) benzylidene] propane azido copper(II) perchlorate
4. 單晶結構4 ……………………………….48
1,4-Bis-[2-(pyridyl) benzylidene] butane diazido cadmium(II)
5. 單晶結構5 …………………………………60
Bis-(μ-1,4-pyrazine)-diselenocyanate cadmium(II) Polymer
6. 單晶結構6 ………………………………68
Bis[(4,4’-dipyridyl) disulfide]-bis[dicyano imide] diaquo manganese(II) ? ? (4,4’-dipyridyl) disulfide
7. 單晶結構7 …………………………………82
2,6-Bis(2-phenylazo) pyridine
8. 單晶結構8 ………………………………93
1,2-Bis(4-pyridyl) ethene monohydrate
9. 結論 ………………………………………101
10. Reference ………………………………102

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