The influence of chain dynamics on the far-infrared spectrum of liquid methanol.
نویسندگان
چکیده
Far-infrared-absorption spectroscopy is used to investigate the low-frequency (<or=100 cm-1) intermolecular interactions in liquid methanol. Using an intense source of far-infrared radiation, modes are elucidated at approximately 30 and 70 cm-1 in the absorption spectrum. These modes are believed to arise from intermolecular bending and librational motions, respectively, and are successfully reproduced in an ab initio molecular-dynamics simulation of methanol.
منابع مشابه
The influence of chain dynamics on the far-infrared spectrum of liquid methanol-water mixtures.
Far-infrared-absorption spectroscopy has been used to study the low-frequency (<or=100 cm-1) intermolecular modes of methanol in mixtures with water. With the aid of a first-principles molecular-dynamics simulation on an equivalent system, a detailed understanding about the origin of the low-frequency IR modes has been established. The total dipole spectrum from the simulation suggests that the...
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عنوان ژورنال:
- The Journal of chemical physics
دوره 123 13 شماره
صفحات -
تاریخ انتشار 2005