| Summary: | 碩士 === 國立清華大學 === 物理學系 === 94 === This thesis is my research results during my master degree study. It includes mainly two parts. First, it contains the basic principles of the X-ray diffraction and the fundamental theory of determining the crystal structures. In the second part, it provides the structure determination of ten single crystals. The packing of the crystal structures and influence of intermolecular interaction are discussed in the thesis. Some crucial results are that p-p interactions and hydrogen bonds contribute at least one dimension packing and X-H…Cg interactions play a important role in some crystals.
The diffraction data of single crystals in this thesis were collected by the Instrument Center. SHELX97 was used to solve the initial phase and refine all parameters. The programs of PLATON, ORTEP32 and Mercury were applied to draw the molecular pictures and molecular packing.
The compound names and R values of the ten crystals are as following：
1. Diazido-bis(1-ethyl-2-(naphthyl-b-azo)imidazole-N,N’)manganese(II)
R=0.0431
2. Dithiocyanato-bis(1-ethyl-2-(naphthyl-b-azo)imidazole-N,N’)manganese(II)
R=0.0556
3. Diazido-bis(1-ethyl-2-(naphthyl-b-azo)imidazole-N)cobalt(II)
R=0.0554
4. Diazido-bis(1-methyl-2-(phenylazo)imidazole-N,N’)nickel(II)
R=0.0467
5. catena-((m2-Azido-N,N)-(m2-azido-N,N'')-(1-ethyl-2-(phenylazo)imidazole-N,N')manganese(II))
R=0.0530
6. Diaqua-bis(8-Aminoquinoline-N,N’)zinc(II) dinitrate
R=0.0341
7. Dinitrato-bis(2-(N-(2-naphthyl)iminomethyl)pyridine-N,N’)cadmium(II)
R=0.0338
8. Chloro-(S-ethyl-(1-ethyl-2-(phenylazo)imidazole-N,N’,S))-(S-ethyl-(1-ethyl-2-(phenylazo)imidazole-N,N’))ruthenium(II) perchlorate
R=0.0380
9. Bis(selenoisocyanate-N)-bis(1-(2-Aminoethyl)piperidine-N,N’)nickel(II)
R=0.0389
10. 2-[(3’-phenyl)azo]imidazole
R=0.0438
|
|---|
