Potential infrared relaxation channels calculated for CO₂ clathrate hydrates

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• 作者：Azzedine Lakhlifi^a ; ^{azzedine.lakhlifi@obs-besancon.fr} ; Pierre Richard Dahoo^b ; Eric Chassefiè ; re^c
• 关键词：Clathrate hydrates ; Intercation potential energy ; IR spectroscopy ; Librational motions
• 刊名：Journal of Quantitative Spectroscopy and Radiative Transfer
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：187
• 期：Complete
• 页码：124-134
• 全文大小：3991 K
• 卷排序：187

文摘

Equilibrium configuration of carbon dioxide molecule trapped in structure I clathrate hydrates is determined. Shifts of the vibrational frequencies of the CO2 molecule are calculated using contact transformation method. The orientational motions of the CO2 molecule are studied. The level schemes correspond to librational motions. The infrared absorption coefficients are calculated and correspond to pure vibrational transitions.