13C Chemical Shifts of Propane Molecules Encaged in Structure II Clathrate Hydrate

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• 作者：Masato Kida ; Akira Hori ; Hirotoshi Sakagami ; Satoshi Takeya ; Yasushi Kamata ; Nobuo Takahashi ; Takao Ebinuma ; Hideo Narita
• 刊名：Journal of Physical Chemistry A
• 出版年：2011
• 出版时间：February 10, 2011
• 年：2011
• 卷：115
• 期：5
• 页码：643-647
• 全文大小：761K
• 年卷期：v.115,no.5(February 10, 2011)
• ISSN：1520-5215

文摘

Experimental NMR measurements for ¹³C chemical shifts of propane molecules encaged in 16-hedral cages of structure II clathrate hydrate were conducted to investigate the effects of guest鈭抙ost interaction of pure propane clathrate on the ¹³C chemical shifts of propane guests. Experimental ¹³C NMR measurements revealed that the clathrate hydration of propane reverses the ¹³C chemical shifts of methyl and methylene carbons in propane guests to gaseous propane at room temperature and atmospheric pressure or isolated propane, suggesting a change in magnetic environment around the propane guest by the clathrate hydration. Inversion of the ¹³C chemical shifts of propane clathrate suggests that the deshielding effect of the water cage on the methyl carbons of the propane molecule encaged in the 16-hedral cage is greater than that on its methylene carbon.