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Spectroscopic and Theoretical Studies of Quantum and Electronic Confinement Effects in Nanostructured Materials.

ABSTRACT: Nanostructured materials have become the central subject of materials research during the last decade in the past 20th century owing to the novel electronic, optical, and catalytic properties observed in such materials. The unusual properties of these nanostructured materials can be attributed to two main microscopic effects: quantum confinement and electronic confinement. These two effects have dominated the variations of molecular properties in a wide variety of nanostructured materials, ranging from inorganic compounds to organic molecules. The recent advances have focused on host-guest complex systems that have resulted in a deeper understanding of the changes in electronic structures when being confined. In this article we cover some of the key advances in the study of quantum and electronic confinement effects, especially in host-guest systems.

SUBMITTER: Zhang LZ

PROVIDER: S-EPMC6146904 | biostudies-other | 2003 Jan

REPOSITORIES: biostudies-other

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Project description:The below article presents the results of spectroscopic research, theoretical (time-dependent density functional theory (TD-DFT)), microbiological, and antioxidative calculations for three compounds from the group of 1,3,4-thiadiazoles: 2-amino-5-phenyl-1,3,4-thiadiazole (TB), 2-amino-5-(2-hydroxyphenyl)-1,3,4-thiadiazole (TS), 2-amino-5-(2-hydroxy-5-sulfobenzoyl)-1,3,4-thiadiazole (TSF). In the fluorescence emission spectra (TS) of solutions with varying concentrations of hydrogen ions, a particularly interesting effect of dual fluorescence was observed. The aforementioned effect was observed even more clearly in the environment of butan-1-ol, relative to the compound's concentration. Depending on the modification of the resorcylic substituent (TS and TSF), we observed the emergence of two separate, partially overlapping, fluorescence emission spectra or a single emission spectrum. Interpretation of the obtained spectra using stationary and time-resolved spectroscopy allowed the correlation of the effect's emergence with the phenomenon of molecular aggregation (of a particular type) as well as, above all, the structure of the substituent system. The overlap of said effects most likely induces the processes related to the phenomenon of charge transfer (in TS) and is responsible for the observed fluorescence effects. Also, the position of the -OH group (in the resorcylic ring) is significant and can facilitate the charge transfer (CT). The determinations of the changes in the dipole moment and TD-DFT calculations further corroborate the above assumption. The following paper presents the analysis (the first for this particular group of analogues) of the fluorescence effects relative to the changes in the structure of the resorcylic group combined with pH effects. The results of biological studies also indicate the highest pharmacological potential of the analogue in the case where the effects of dual fluorescence emission are observed, which predisposes this particular group of fluorophores as effective fluorescence probes or potential pharmaceuticals with antimycotic properties.

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Spectroscopic and Theoretical Studies of Quantum and Electronic Confinement Effects in Nanostructured Materials.

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