Conformational changes underlying variation in the structural dynamics of materials confined at the nanometric scale

文献情報

出版日 2018-11-19

DOI 10.1039/C8CP06086J

インパクトファクター 3.676

著者

Aldona Minecka, Ewa Kaminska

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要旨

Broadband dielectric and Raman spectroscopies combined with calorimetric measurements and DFT calculations have been used to investigate the molecular dynamics of the benzyl derivative of ibuprofen (Ben-IBU) incorporated into aluminum oxide (AAO) templates of various pore diameters (d = 20 nm and d = 80 nm). Time-dependent experiments on the material confined in pores of d = 20 nm revealed the occurrence of a low activation barrier kinetic process, that was manifested as a variation in the integral intensities of some characteristic vibrations of carboxylic and benzene moieties as well as a shift of the structural relaxation process. Complementary DFT computations enabled us to identify its molecular nature as originating from cis to trans like conformational change. Our results clearly show that molecular rearrangements enforced by the interactions with the pore walls/substrate may affect the properties of the confined systems. Consequently, these effects must be taken into account to understand the dynamics and variation of the glass transition temperature in high (polymers) and low molecular weight glass formers subjected to spatial restrictions at the nanometer scale.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.

Conformational changes underlying variation in the structural dynamics of materials confined at the nanometric scale

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掲載誌

Physical Chemistry Chemical Physics

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