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Chemistry
Special Issues
Modern Photochemistry and Molecular Photonics
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Modern Photochemistry and Molecular Photonics

A special issue of Chemistry (ISSN 2624-8549). This special issue belongs to the section "Photochemistry and Photophysics".

Deadline for manuscript submissions: 28 February 2026 | Viewed by 1079

Special Issue Editor

Prof. Dr. Valentine Vullev

E-Mail Website
Guest Editor
Department of Bioengineering, University of California, Riverside, CA 92521, USA
Interests: photochemistry; charge transfer; electrochemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are delighted to announce a Special Issue dedicated to modern photochemistry and molecular photonics. In order to reflect the interdisciplinary nature of photochemistry and its global impacts, we welcome the submission of manuscripts on a broad range of topics related to light–matter interactions, including advanced spectroscopy, photophysics, the mechanisms of photoinduced processes, biophotonics, solar energy science and engineering, photocatalysis, photoelectrochemistry, modern optical materials and devices, and the theory of excited-state dynamics. In addition to original research articles, we will accept reviews, tutorials, and focused reviews and perspectives on newly emerging topics with broad impacts.

Manuscripts should be submitted through our online submission system.

Please indicate that your submission is intended for the “Modern Photochemistry and Molecular Photonics” Special Issue.

All submissions will be published and will be considered for the printed version of the Special Issue if they pass rigorous peer review.

Prof. Dr. Valentine Vullev
Guest Editor

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. Chemistry 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 1800 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

  • photoconversion
  • photocatalysis
  • photoelectrochemistry and spectroelectrochemistry
  • solar energy
  • solar fuels
  • e-fuels
  • microscopy
  • photobiology
  • photolabeling
  • optical sensors
  • lasers and spectroscopy

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (2 papers)

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19 pages, 2843 KB  
Article
Influence of Nitrogen Doping on Vacancy-Engineered T-Graphene Fragments: Insights into Electronic and Optical Properties
by Jyotirmoy Deb and Pratim Kumar Chattaraj
Chemistry 2025, 7(4), 126; https://doi.org/10.3390/chemistry7040126 - 7 Aug 2025
Viewed by 342
Abstract
This study investigates the influence of vacancy engineering and nitrogen doping on the structural, electronic, and optical properties of T-graphene fragments (TFs) using density functional theory (DFT) and time-dependent DFT (TD-DFT). A central vacancy and five pyridinic nitrogen doping configurations are explored to [...] Read more.
This study investigates the influence of vacancy engineering and nitrogen doping on the structural, electronic, and optical properties of T-graphene fragments (TFs) using density functional theory (DFT) and time-dependent DFT (TD-DFT). A central vacancy and five pyridinic nitrogen doping configurations are explored to modulate the optoelectronic behavior. All systems are thermodynamically stable, exhibiting tunable HOMO–LUMO gaps, orbital distributions, and charge transfer characteristics. Optical absorption spectra show redshifts and enhanced oscillator strengths in doped variants, notably v-NTF2 and v-NTF4. Nonlinear optical (NLO) analysis reveals significant enhancement in both static and frequency-dependent responses. v-NTF2 displays an exceptionally high first-order hyperpolarizability (⟨β⟩ = 1228.05 au), along with a strong electro-optic Pockels effect (β (−ω; ω, 0)) and second harmonic generation (β (−2ω; ω, ω)). Its third-order response, γ (−2ω; ω, ω, 0), also exceeds 1.2 × 105 au under visible excitation. Conceptual DFT descriptors and energy decomposition analysis further supports the observed trends in reactivity, charge delocalization, and stability. These findings demonstrate that strategic nitrogen doping in vacancy-engineered TFs is a powerful route to tailor electronic excitation, optical absorption, and nonlinear susceptibility. The results offer valuable insight into the rational design of next-generation carbon-based materials for optoelectronic, photonic, and NLO device applications. Full article
(This article belongs to the Special Issue Modern Photochemistry and Molecular Photonics)
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15 pages, 1767 KB  
Article
Synthesis and Photophysics of 5-(1-Pyrenyl)-1,2-Azoles
by María-Camila Ríos, Alexander Ladino-Bejarano and Jaime Portilla
Chemistry 2025, 7(4), 120; https://doi.org/10.3390/chemistry7040120 - 27 Jul 2025
Viewed by 609
Abstract
Two pyrene derivatives, substituted at position 1 with isoxazole or NH-pyrazole, were synthesized in 85–87% yield starting from 1-acetylpyrene and via the cyclocondensation reaction of a β-enaminone intermediate with hydroxylamine or hydrazine. The photophysics of the two 5-(1-pyrenyl)-1,2-azoles were explored, revealing that [...] Read more.
Two pyrene derivatives, substituted at position 1 with isoxazole or NH-pyrazole, were synthesized in 85–87% yield starting from 1-acetylpyrene and via the cyclocondensation reaction of a β-enaminone intermediate with hydroxylamine or hydrazine. The photophysics of the two 5-(1-pyrenyl)-1,2-azoles were explored, revealing that only the isoxazole derivative exhibits good emission properties (ϕF ≥ 74%) but without solvatofluorochromism behavior. However, both probes exhibited noticeable photophysics in the aggregated state (in the presence of H2O and/or in the solid state) and through acid–base interactions (using TFA and TBACN), leveraging the basic and acidic character of the analyzed 1,2-azoles, which was also investigated by 1H NMR spectroscopy. Therefore, the selective incorporation of N-heteroaromatic units into the pyrene scaffold effectively modulates the photophysics and environmental sensitivity of the corresponding probes. Full article
(This article belongs to the Special Issue Modern Photochemistry and Molecular Photonics)
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