Shape and interactions of the synthetic repellent DEET.

Phys Chem Chem Phys

Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV/EHU), Leioa, 48940, Spain.

Published: September 2024

,-Diethyl-3-methylbenzamide (DEET) is the most widely used insect repellent, exhibiting high efficiency against a wide variety of species. In this work, a comprehensive isolated-molecule investigation of DEET was conducted using chirp-excitation Fourier transform microwave (CP-FTMW) spectroscopy within the frequency range of 7-14 GHz. Four out of the eight theoretically predicted conformers were detected and grouped in pairs based on their rotational constants and planar moments of inertia. We also studied the non-covalent interactions of DEET by characterizing the attractive and repulsive forces, which could explain the energetic ordering of the four conformers. In addition, DEET has a methyl top bound to the benzyl ring which is predicted to rotate almost freely with respect to the molecular framework.

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Source
http://dx.doi.org/10.1039/d4cp02315cDOI Listing

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