Broadband terahertz dielectric spectroscopy of alcohols
| Autor: | Pankaj Mandal, Arnab Mukherjee, Sohini Sarkar, Sneha Banerjee, Debasis Saha |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
010304 chemical physics
Chemistry Terahertz radiation Analytical chemistry Ab initio Physics::Optics General Physics and Astronomy 02 engineering and technology Dielectric 021001 nanoscience & nanotechnology 01 natural sciences Molecular physics Dielectric spectroscopy Complex dynamics Molecular dynamics 0103 physical sciences Physics::Chemical Physics Physical and Theoretical Chemistry 0210 nano-technology Spectroscopy Harmonic oscillator |
| Zdroj: | Chemical Physics Letters. 678:65-71 |
| ISSN: | 0009-2614 |
| Popis: | We have studied the complex dielectric properties of a series of alcohols in 0.5–10 THz frequency range using THz time-domain spectroscopy. The dielectric response observed has contribution from a Debye relaxation process and three damped harmonic oscillators. Combination of experimental observations, all-atom molecular dynamics simulations and ab initio quantum calculations reveals that the complex dielectric spectra of alcohols result from a complex dynamics involving vibrational motions of several atoms across multiple interacting alcohol molecules. The major contribution comes from the fast hydrogen-bond rupture and reformation dynamics, the motion of alkyl chains, and the motions of the H-bonded OH groups. |
| Databáze: | OpenAIRE |
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