Article ID Journal Published Year Pages File Type
5374749 Chemical Physics 2011 8 Pages PDF
Abstract
► We model the infrared bar-spectrum of ammonia trapped in a C60 fullerene molecule. ► We examine in detail the interaction potential energy experienced by NH3 in the C60. ► Simultaneous orientation and center of mass translation motions of NH3 lead to free rotation level scheme with modified rotational constant. ► The vibration-inversion mode (umbrella mode) of NH3 is drastically modified.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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