The behavior and origin of the excess wing in DEET (N,N-diethyl-3-methylbenzamide)

Literature Information

Publication Date 2013-04-15
DOI 10.1039/C3CP50975C
Impact Factor 3.676
Authors

S. Hensel-Bielowka, J. R. Sangoro, Z. Wojnarowska, M. Paluch


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Abstract

Broadband dielectric spectroscopy along with a high pressure technique and quantum-mechanical calculations are employed to study in detail the behavior and to reveal the origin of the excess wing (EW) in neat N,N-diethyl-3-methylbenzamide (DEET). Our analysis of dielectric spectra again corroborates the idea that the EW is a hidden β-relaxation peak. Moreover, we found that the position frequency of the β peak corresponds to the position of the primitive relaxation of the Coupling Model. We also studied the possible intramolecular rotations in DEET by means of DFT calculation. On that basis we were able to describe the EW as the JG β-relaxation and find the possible origin of the γ-relaxation visible in DEET dielectric spectra at very low temperatures.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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