Adsorption of SF6 on zinc oxide and on silicalite-1 was investigated by a combination of IR spectroscopy with the calculations of spectra by means of a modernized model, developed previously for liquids. Comparison of the experimental spectra and the results of modeling shows that the complex band shapes in spectra of adsorbed molecules with extremely high absorbance are due to the strong resonance dipole-dipole interaction (RDDI) rather that the surface heterogeneity or the presence of specific surface sites. Perfect agreement between calculated and observed spectra was found for ZnO, while some dissimilarity in band intensities for silicalite-1 was attributed to complicated geometry of molecular arrangement in the channels.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.saa.2015.04.002 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Photon-mediated energy transfer between molecules and atoms in a cavity: A numerical study.
J Chem Phys
December 2024
Shiyan Key Laboratory of Quantum Information and Precision Optics, and School of Mathematics, Physics and Optoelectronic Engineering, Hubei University of Automotive Technology, Shiyan 442002, People's Republic of China.
The molecular energy transfer is crucial for many different physicochemical processes. The efficiency of traditional resonance energy transfer relies on dipole-dipole distance between molecules and becomes negligible when the distance is larger than ∼10 nm, which is difficult to overcome. Cavity polariton, formed when placing molecules inside the cavity, is a promising way to surmount the distance limit.
View Article and Find Full Text PDFX and Q-band EMR study of ultrasmall ZnMnFeO spinel nanoparticles fabricated under nonhydrolytic conditions.
Dalton Trans
December 2024
Department of Biotechnology, Institute of Biotechnology, College of Natural Sciences, University of Rzeszow, Pigonia 1, Rzeszow PL35-310, Poland.
In this work, we are showing the results of the X- and Q-band electron magnetic resonance measurements of ultra-small ZnMnFeO nanoparticles ( 8 nm) with a very narrow size distribution. The chosen synthetic route allows for precise structural modifications with a broad concentration range ( = 0, 0.2, 0.
View Article and Find Full Text PDFTheory of molecular emission power spectra. III. Non-Hermitian interactions in multichromophoric systems coupled with polaritons.
J Chem Phys
December 2024
Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan.
Based on our previous study [Wang et al., J. Chem.
View Article and Find Full Text PDFEffects of Alkali-Metal Counterions on the Vibrational Dynamics of the DNA Hydration Shell.
J Phys Chem B
January 2025
The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, Trieste 34151, Italy.
The effects of alkali-metal ions (Li, Na, K, Rb, and Cs) on the vibrational dynamics of the DNA ion-hydration shell were studied through classical molecular dynamics simulations. As a result, the vibrational spectra of the DNA-water-salt systems were calculated within the framework of two approaches, using dipole-dipole and velocity-velocity autocorrelation functions. We dissect the effect of the individual compartments of the DNA double helix (minor groove, major groove, and phosphate groups) on the behavior of the systems.
View Article and Find Full Text PDFInsights into the Structural, Thermal/Dilatometric, and Optical Properties of Dy-Doped Phosphate Glasses for Lighting Applications.
ACS Phys Chem Au
November 2024
Center for Advanced Materials Science, Department of Biochemistry, Chemistry & Physics, Georgia Southern University, Statesboro, Georgia 30460, United States.
Article Synopsis
- - Dysprosium-doped phosphate glasses, specifically with varying amounts of Dy ions, were studied to understand how these ions influence the glasses' properties, focusing on aspects like physical, structural, thermal, and optical characteristics.
- - Advanced characterization techniques, including Raman spectroscopy and optical absorption, were employed to reveal new insights into how Dy influences the glass network and properties relative to other lanthanides.
- - The findings indicate that lower concentrations of Dy enhance luminescent properties while reducing emission decay times through cross-relaxation channels, whereas higher concentrations lead to emission quenching due to interactions between Dy ions at short distances.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!