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Molecules
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Recent Advances in Spectroscopy of Molecular Ensembles and Low-Dimensional Phases
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Recent Advances in Spectroscopy of Molecular Ensembles and Low-Dimensional Phases

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (15 September 2023) | Viewed by 4078

Special Issue Editors

Prof. Dr. Pavel V. Avramov

E-Mail Website
Guest Editor
Department of Chemistry, College of Natural Science, Kyungpook National University, Daegu, Republic of Korea
Interests: electronic structure and properties of carbon-based low-dimensional materials and their derivatives; structure and properties of complex nano- and mezodiamonds; structure and properties of carbon-based nanomaterials for spin-related applications; mechanical properties of carbon nanoslusters; topological and quantum stability of low-dimensional carbon atomic lattices; twisted bilayer graphenes
Prof. Dr. Olga N. Tchaikovskaya

E-Mail Website
Guest Editor
Head of laboratory of Photophysics and Photochemistry of molecules, Physics Faculty, Tomsk State University, Tomsk, Russia
Interests: electronic exited states; photophysics and photochemical processes

Special Issue Information

Dear Colleagues,

It is a great pleasure for me to invite you to submit an article for a high-profile Special Issue titled “Recent Advances in Spectroscopy of Molecular Ensembles and Low-Dimensional Phases”, to be published in Molecules. This Special Issue aims to represent the recent advances in the experimental and theoretical study of composition, atomic and electronic structure, and structure–properties relationships of advanced molecular ensembles and low-dimensional phases using a broad range of spectroscopic techniques which may include but are not limited to X-ray, photoelectron (including ARPES), optical, Raman, FT-IR, diffraction, and electron microscopy techniques. First, the Issue concerns a wide range of X-ray and photoelectron techniques to study the structure and electronic properties of molecular ensembles and low-dimensional phases. Second, we especially welcome the submission of papers aiming to study the optical properties of low-dimensional phases for advances photovoltaic, LED, catalytic, spintronic, quantum, and biosensing applications. The consideration of fundamental aspects of energy and charge transfer processes will be considered an advantage. Review articles and perspectives from experts in the field are welcome as well.

Prof. Dr. Pavel V. Avramov
Prof. Dr. Olga N. Tchaikovskaya
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • X-ray spectroscopy
  • photoelectron spectroscopy
  • optical spectroscopy
  • raman spectroscopy
  • FT-IR spectroscopy
  • molecular ensembles
  • low-dimensional phases
  • molecular complexes and biosystems

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Published Papers (2 papers)

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Research

17 pages, 2038 KiB  
Article
Nature of Luminescence and Pharmacological Activity of Sulfaguanidine
by Olga Tchaikovskaya, Elena Bocharnikova, Olga Bazyl, Vlada Chaidonova, George Mayer and Paul Avramov
Molecules 2023, 28(10), 4159; https://doi.org/10.3390/molecules28104159 - 18 May 2023
Cited by 3 | Viewed by 1847
Abstract
Sulfonamides are one of the oldest groups of veterinary chemotherapeutic agents. Physico-chemical properties, the concentration and the nature of the environment are the factors responsible for the distribution of sulfonamides in the living organism. Although these drug compounds have been in use for [...] Read more.
Sulfonamides are one of the oldest groups of veterinary chemotherapeutic agents. Physico-chemical properties, the concentration and the nature of the environment are the factors responsible for the distribution of sulfonamides in the living organism. Although these drug compounds have been in use for more than half a century, knowledge about their behavior is still limited. Physiological activity is currently attributed to the sulfanyl radical. Our study is devoted to the spectral properties of aqueous solutions of sulfaguanidine, in which the formation of complexes with an H-bond and a protonated form takes place. The nature of the fluorescent state of sulfaguanidine was interpreted using computational chemistry, the electronic absorption method and the luminescence method. The structure of sulfaguanidine includes several active fragments: aniline, sulfonic and guanidine. To reveal the role of fragments in the physiological activity of the studied antibiotic, we calculated and compared the effective charges of the fragments of aniline and sulfaguanidine molecules. Chromophore groups were identified in molecules, which determine the intermolecular interaction between a molecule and a proton-donor solvent. The study also revealed the impact of sulfone and guanidine groups, as well as complexation, on the effective charge of the antibiotic fragment responsible for physiological activity and luminescent ability. Full article
(This article belongs to the Special Issue Recent Advances in Spectroscopy of Molecular Ensembles and Low-Dimensional Phases)
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14 pages, 3296 KiB  
Article
Broadening of the ν2 Raman Band of CH4 by C3H8 and C4H10
by Aleksandr S. Tanichev and Dmitry V. Petrov
Molecules 2023, 28(8), 3365; https://doi.org/10.3390/molecules28083365 - 11 Apr 2023
Cited by 4 | Viewed by 1886
Abstract
Raman spectroscopy is a promising method for the analysis of natural gas. It is necessary to account for the broadening effects on spectral lines to improve measurement accuracy. In this study, the broadening coefficients for methane lines in the region of the ν [...] Read more.
Raman spectroscopy is a promising method for the analysis of natural gas. It is necessary to account for the broadening effects on spectral lines to improve measurement accuracy. In this study, the broadening coefficients for methane lines in the region of the ν2 band perturbed by propane, n-butane, and isobutane at room temperature were measured. We estimated the measurement errors of the concentration of oxygen and carbon dioxide in the case of neglecting the broadening effects on the methane spectrum by the pressure of C2–C6 alkanes. The obtained data are suited for the correct simulation of the methane spectrum in the hydrocarbon-bearing gases and can be used to improve the accuracy of the analysis of natural gas by Raman spectroscopy. Full article
(This article belongs to the Special Issue Recent Advances in Spectroscopy of Molecular Ensembles and Low-Dimensional Phases)
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