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撤回文章:温度和大分子客体对结构H和I型笼形水合物中甲烷C-H对称伸缩振动频率的影响

Retracted Article: Effect of temperature and large guest molecules on the C-H symmetric stretching vibrational frequencies of methane in structure H and I clathrate hydrates.

作者信息

Fuseya Go, Takeya Satoshi, Hachikubo Akihiro

机构信息

Kitami Institute of Technology 165, Koen-cho Kitami 090-8507 Japan

National Institute of Advanced Industrial Science and Technology (AIST) Central 5, 1-1-1, Higashi Tsukuba 305-8565 Japan.

出版信息

RSC Adv. 2018 Jan 16;8(6):3237-3242. doi: 10.1039/c7ra12334e. eCollection 2018 Jan 12.

DOI:10.1039/c7ra12334e
PMID:35541176
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9077694/
Abstract

Large molecules such as 2-methylbutane (CH) or 2,2-dimethylbutane (CH) form structure H (sH) hydrates with methane (CH) as a help gas. In this study, the Raman spectra of the C-H symmetric stretch region of CH enclathrated within various sH hydrates and structure I CH hydrates were analyzed in the temperature range 83-183 K. Thermal expansions of these sH hydrate samples were also measured using powder X-ray diffraction. Symmetric stretch vibrational frequencies of CH in host water cages increased because of varying temperature, and the sizes of the host water cages also increased; variation of CH in small cages was less than in larger cages. Comparing the variations of the C-H symmetric stretching frequencies of CH in gas hydrates with varying pressure and temperature, we suggest that the observed trend is caused by thermal vibrations of the CH molecule in water cages.

摘要

诸如2-甲基丁烷(CH)或2,2-二甲基丁烷(CH)等大分子与甲烷(CH)作为辅助气体形成结构H(sH)水合物。在本研究中,分析了在83 - 183 K温度范围内,包合在各种sH水合物和结构I甲烷水合物中的CH的C - H对称伸缩区域的拉曼光谱。还使用粉末X射线衍射测量了这些sH水合物样品的热膨胀。由于温度变化,主体水笼中CH的对称伸缩振动频率增加,并且主体水笼的尺寸也增加;小笼中CH的变化小于大笼中的变化。通过比较不同压力和温度下气体水合物中CH的C - H对称伸缩频率的变化,我们认为观察到的趋势是由CH分子在水笼中的热振动引起的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/342adf1b300d/c7ra12334e-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/64a5831e5da9/c7ra12334e-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/87f1205d4097/c7ra12334e-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/5e03405ac1fd/c7ra12334e-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/b41f0a56dc5a/c7ra12334e-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/de1c3a6120b3/c7ra12334e-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/342adf1b300d/c7ra12334e-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/64a5831e5da9/c7ra12334e-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/87f1205d4097/c7ra12334e-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/5e03405ac1fd/c7ra12334e-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/b41f0a56dc5a/c7ra12334e-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/de1c3a6120b3/c7ra12334e-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d86/9077694/342adf1b300d/c7ra12334e-f6.jpg

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本文引用的文献

1
Vibrational modes of methane in the structure H clathrate hydrate from ab initio molecular dynamics simulation.从从头分子动力学模拟研究结构 H 包合物中水合甲烷的振动模式。
J Chem Phys. 2012 Oct 14;137(14):144306. doi: 10.1063/1.4757914.
2
Molecular vibrations of methane molecules in the structure I clathrate hydrate from ab initio molecular dynamics simulation.结构 I 笼型水合物中甲烷分子的分子振动的从头分子动力学模拟。
J Chem Phys. 2012 Jan 28;136(4):044508. doi: 10.1063/1.3677231.
3
Direct space methods for powder X-ray diffraction for guest-host materials: applications to cage occupancies and guest distributions in clathrate hydrates.
直接空间法在主客体材料粉末 X 射线衍射中的应用:在笼型水合物中笼占有率和客体分布的应用。
J Am Chem Soc. 2010 Jan 20;132(2):524-31. doi: 10.1021/ja905426e.
4
Kinetic studies of methane-ethane mixed gas hydrates by neutron diffraction and Raman spectroscopy.利用中子衍射和拉曼光谱对甲烷 - 乙烷混合气体水合物进行的动力学研究。
J Phys Chem B. 2009 Apr 16;113(15):5172-80. doi: 10.1021/jp810248s.
5
Thermal expansivity for sI and sII clathrate hydrates.I型和II型笼形水合物的热膨胀系数。
J Phys Chem B. 2007 Aug 2;111(30):8830-5. doi: 10.1021/jp0715880. Epub 2007 Jul 11.
6
Complex gas hydrate from the Cascadia margin.来自卡斯卡迪亚边缘的复杂气体水合物。
Nature. 2007 Jan 18;445(7125):303-6. doi: 10.1038/nature05463.
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Observation of hydrogen in deuterated methane hydrate by maximum entropy method with neutron powder diffraction.用中子粉末衍射最大熵方法观测氘代甲烷水合物中的氢
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Crystal lattice size and stability of type H clathrate hydrates with various large-molecule guest substances.具有各种大分子客体物质的H型笼形水合物的晶格尺寸和稳定性
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Vibrational spectra of methane clathrate hydrates from molecular dynamics simulation.基于分子动力学模拟的甲烷笼形水合物的振动光谱
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Gas hydrate single-crystal structure analyses.气体水合物单晶结构分析
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