共晶化合物/鹽類其晶體固態氫鍵鍵結與其在水中溶解度之關係

Relating the Solubility in Water of Co-crystals/Salts with Their Solid-State Hydrogen Bonding Network

林子淳(Zih-Chun Lin)

指導教授 ： 李度

國立中央大學/工學院/化學工程與材料工程學系/碩士(2011年)

摘要

結晶材料的物理性質主要是受到固體狀態下的分子排列所影響，更細一步說是受到分子擺放位置和彼此間的作用力所影響。而共晶和鹽類更是近年來的熱門研究議題，當中最值得深入探討的作用力即為氫鍵。
在篩選共晶/鹽類的結晶工程中，我們著重探討於產物的物理性質譬如熔化熱，溶解於水中的焓，溶解於水中的熵，和在水中的溶解度是否受到固態狀態下形成之氫鍵影響。所以說除了再重覆前人發展出一套鑒定的共晶鹽類篩選跟檢測流程，實驗室常見的分析工具，如PXRD，DSC，TGA，IR，OM，和SXD被用來了解超分子結構，並確認共晶化合物/鹽類的生成。結果共產生2:1 cytosine－fumaric acid、2:1 cytosine－acetylenedicarboxylic dihydrate的共晶化合物，和2:1cytosine－tartaric acid的鹽類化合物。在本研究中的最大特色就是提出氫鍵數的探討。
在這個實驗過程中，不同以往的是我們使用固態氫鍵數企圖解釋共晶化合物在水中的溶解度而非使用溶度積。

關鍵字

共晶化合物 ； 氫鍵 ； 鹽類

並列摘要

It is well-known that crystalline materials obtain their fundamental physical properties from the molecular arrangement within the solid, and altering the placement and/or interactions between these molecules. Most studies were interested in the formation and structure of co-crystal/salt compound, the hydrogen bonding played an important role to affect physical properties.
In crystal engineering for screening co-crystals/salts, this thesis focused on relating the physical properties such as the heat of fusion, the enthalpy of dissolution, the entropy of dissolution, and the solubility in water. Common laboratory analytical tools such as PXRD, DSC, TGA, FT-IR, OM, and SXD were used to understand the supramolecular architectures and to ensure the quality of co-crystals. 2:1 co-crystal of cytosine-fumaric acid, 2:1 co-crystal of cytosine-acetylenedicarboxylic acid, and 2:1 salt of cytosine-tartaric acid were manufactured. The significance of our research is to offer concept to study the solid state hydrogen bonding.
In the experimental process, we used hydrogen bonding number in the solid-state to attempt to explain the co-crystal solubility in the liquid state, rather than using the solubility product in the liquid state to explain the co-crystal solubility in the liquid state.

並列關鍵字

hydrogen bonding ； salt ； co-crystal

參考文獻

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