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

Journal Article · Tue Jan 01 04:00:00 EST 2013 · Physical Chemistry Chemical Physics

DOI:https://doi.org/10.1039/c3cp50975c· OSTI ID:1089256

Hensel-Bielowka, S ^[1]; Sangoro, Joshua R ^[2]; Wojnarowska, S ^[3]; Hawelek, L ^[3]; Paluch, Marian ^[4]

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1. University of Silesia, Katowice, Poland
2. ORNL
3. Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland
4. University of Silesia, Uniwersytecka, Katowice, Poland

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 b-relaxation peak. Moreover, we found that the position frequency of the b 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 b-relaxation and find the possible origin of the g-relaxation visible in DEET dielectric spectra at very low temperatures.

• Research Organization: Oak Ridge National Laboratory (ORNL)
• Sponsoring Organization: SC USDOE - Office of Science (SC)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 1089256
• Journal Information: Physical Chemistry Chemical Physics, Journal Name: Physical Chemistry Chemical Physics Journal Issue: 23 Vol. 15; ISSN 1463-9076
• Country of Publication: United States
• Language: English