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Molecules
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Photochemical Reactions at Low Temperature
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Photochemical Reactions at Low Temperature

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

Deadline for manuscript submissions: closed (31 July 2019) | Viewed by 8815

Special Issue Editors

Dr. Igor Reva

E-Mail Website
Guest Editor
Department of Chemical Engineering, University of Coimbra, 3030-790 Coimbra, Portugal
Interests: physical chemistry; photochemistry; computational chemistry; infrared spectroscopy; matrix isolation; flash vacuum pyrolysis; reactive intermediates; quantum mechanical tunneling; vibrationally induced chemistry
Dr. Cláudio M. Nunes

E-Mail Website
Guest Editor
CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal
Interests: reactive intermediates and unusual molecules, quantum tunneling chemistry, infrared vibration excitation dynamics, photochemistry and molecular structure
Dr. António Jorge Lopes Jesus

E-Mail Website
Guest Editor
Faculty of Pharmacy, University of Coimbra, 3000-548 Coimbra, Portugal
Interests: structural characterization of biologically relevant molecules; conformational analysis; hydrogen bonding; photoinduced processes in matrix-isolated molecules; vibrational spectroscopy; quantum chemical calculations

Special Issue Information

Dear Colleagues,

It is our great pleasure to invite you to submit an article for a Special Issue on "Photochemical Reactions at Low Temperature", to be published in Molecules. This Special Issue aims to highlight research on light-induced processes at low temperature, in both gas and condensed phases. We would like to bring together contributions from researchers studying photochemical reactions in different time domains and using a variety of low-temperature methods and spectroscopic techniques. Among the topics are research articles on mechanisms of chemical reactions and of physical processes induced by light, focusing on (although not limited to) reactive intermediates, electronic and vibrational relaxation mechanisms, excited-state charge, energy, or group transfer. Review articles and perspectives from experts in the field are also welcome.

Dr. Igor Reva
Dr. Cláudio M. Nunes
Dr. António Jorge Lopes Jesus
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

  • photochemistry
  • photophysics
  • low temperature
  • matrix isolation
  • helium nanodroplets
  • UV-induced reactions
  • vibrationally-induced reactions
  • reactive intermediates
  • radicals
  • spectroscopy
  • theoretical calculations
  • kinetics

Published Papers (3 papers)

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Research

15 pages, 4079 KiB  
Article
Photolysis of 5-Azido-3-Phenylisoxazole at Cryogenic Temperature: Formation and Direct Detection of a Nitrosoalkene
by Upasana Banerjee, William L. Karney, Bruce S. Ault and Anna D. Gudmundsdottir
Molecules 2020, 25(3), 543; https://doi.org/10.3390/molecules25030543 - 27 Jan 2020
Cited by 6 | Viewed by 3090
Abstract
To enhance the versatility of organic azides in organic synthesis, a better understanding of their photochemistry is required. Herein, the photoreactivity of azidoisoxazole 1 was characterized in cryogenic matrices with IR and UV-Vis absorption spectroscopy. The irradiation (λ = 254 nm) of azidoisoxazole [...] Read more.
To enhance the versatility of organic azides in organic synthesis, a better understanding of their photochemistry is required. Herein, the photoreactivity of azidoisoxazole 1 was characterized in cryogenic matrices with IR and UV-Vis absorption spectroscopy. The irradiation (λ = 254 nm) of azidoisoxazole 1 in an argon matrix at 13 K and in glassy 2-methyltetrahydrofuran (mTHF) at 77 K yielded nitrosoalkene 3. Density functional theory (DFT) and complete active space self-consistent field (CASSCF) calculations were used to aid the characterization of nitrosoalkene 3 and to support the proposed mechanism for its formation. It is likely that nitrosoalkene 3 is formed from the singlet excited state of azidoisoxazole 1 via a concerted mechanism or from cleavage of an intermediate singlet nitrene that does not undergo efficient intersystem crossing to its triplet configuration. Full article
(This article belongs to the Special Issue Photochemical Reactions at Low Temperature)
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13 pages, 1907 KiB  
Article
Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I. Structures and Thermal Effects
by Iwona Kosendiak, Jussi M.E. Ahokas, Justyna Krupa, Jan Lundell and Maria Wierzejewska
Molecules 2019, 24(18), 3262; https://doi.org/10.3390/molecules24183262 - 07 Sep 2019
Cited by 7 | Viewed by 2993
Abstract
Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, [...] Read more.
Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-selective chemistry. Full article
(This article belongs to the Special Issue Photochemical Reactions at Low Temperature)
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11 pages, 1716 KiB  
Article
Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. II. Vibrational Overtone Excitations
by Iwona Kosendiak, Jussi M.E. Ahokas, Justyna Krupa, Jan Lundell and Maria Wierzejewska
Molecules 2019, 24(18), 3245; https://doi.org/10.3390/molecules24183245 - 06 Sep 2019
Cited by 2 | Viewed by 2138
Abstract
Structural changes of glycolic acid (GA) complex with nitrogen induced by selective overtone excitation of the νOH mode were followed in argon matrices using FTIR spectroscopy. For the most stable SSC1 complex present in different trapping sites directly upon deposition site, selective changes [...] Read more.
Structural changes of glycolic acid (GA) complex with nitrogen induced by selective overtone excitation of the νOH mode were followed in argon matrices using FTIR spectroscopy. For the most stable SSC1 complex present in different trapping sites directly upon deposition site, selective changes in the νOH region were achieved upon near-infrared irradiation. Simultaneously, new conformers of the GA…N2 complex were formed, giving rise to several sets of bands in the νOH and νC=O regions of the spectra. Both position and intensity of new absorptions appeared to be highly sensitive on the wavelength of radiation used, as well as on the annealing of the matrix. Based on theoretical calculations at different levels of theory, an assignment of the observed bands is proposed and discussed. Full article
(This article belongs to the Special Issue Photochemical Reactions at Low Temperature)
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