Latest Insight into Spin and Isomerism of Organic Molecules
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biophysics".
Deadline for manuscript submissions: 30 June 2026 | Viewed by 35
Special Issue Editors
Interests: molecular device; nonadiabatic molecular dynamics
Special Issue Information
Dear Colleagues,
We hope this email finds you well. As Guest Editors, we are pleased to invite you to contribute to a Special Issue of the International Journal of Molecular Sciences, titled “Latest Insight into Spin and Isomerism of Organic Molecules”, with a submission deadline of June 2026.
Spin state and conformation isomerization behaviors stand as two foundational pillars shaping the properties of organic molecules, and their mutual or concerted regulation has become a core focus driving innovations across multiple chemical and physical subdisciplines. For organic systems, spin—whether manifested in the flip of unpaired electrons, the spin crossover between high- and low-spin configurations, or the synergistic effects in radical pairs—directly determines electronic conductivity, magnetic response, and light absorption/emission mechanisms. Isomerism, meanwhile, as a ubiquitous structural phenomenon, brings about distinct molecular conformations, stereochemical arrangements, and intermolecular packing modes through subtle changes in bond connectivity or spatial orientation. The cross-talk between these two factors is what endows organic materials with the versatile functionalities needed for next-generation technologies, from high-efficiency organic light-emitting diodes (OLEDs) and photovoltaics to spintronic devices and targeted pharmaceutical agents.
Although the importance of individual spin or isomerism has been a key topic in studies for decades, the integrated understanding of their interplay remains fragmented. Key questions persist: How can we precisely manipulate molecular structure to control the energy barrier between spin states in isomeric forms? What role does conformational isomerism play in mediating spin crossover kinetics? And how to translate these fundamental relationships into practical materials with predictable performance? This interdisciplinary field, which merges synthetic strategy, quantum mechanics, advanced spectroscopy, and materials engineering, is now entering a critical phase of growth—one where cohesive, cutting-edge research is needed to connect theoretical insights with experimental breakthroughs. It is with great enthusiasm that we invite you to contribute to this Special Issue, designed to capture the latest progress and chart future directions in the study of spin and isomerism in organic molecules.
This Special Issue aims to consolidate and highlight the latest breakthroughs, emerging trends, and unresolved challenges in the study of spin and isomerism of organic molecules. It seeks to bring together original research and critical reviews that address the molecular design, characterization, theoretical modeling, and application of organic systems where spin states and isomerism are intertwined.
The scope of this Special Issue aligns with the journal’s mission to publish high-impact research at the interface of organic chemistry, physical chemistry, and materials science. It balances breadth (covering diverse molecular classes revealed by various experimental/theoretical approaches) and focus (centered on spin-isomerism interplay), ensuring relevance to the journal’s readership while maintaining sufficient specificity to attract high-quality contributions. We aim to curate a collection of at least 10 articles, with the potential for the Special Issue to be published in book form upon reaching this milestone.
In this Special Issue, original research articles and comprehensive reviews are welcome. Research areas may include (but are not limited to) the following:
- Design and synthesis of organic molecules with tunable spin-isomerism coupling;
- Experimental characterization of spin states in isomeric organic systems (e.g., EPR, X-ray crystallography, photophysical spectroscopy);
- Theoretical modeling of spin-isomerism dynamics (ab initio calculations, molecular dynamics, machine learning approaches);
- Photoinduced intersystem crossing and isomerization in organic chromophores;
- Spin-isomerism effects in organic catalysis and supramolecular assemblies;
- Applications of spin-isomerism phenomena in organic optoelectronics and spintronics;
- Isomeric control of magnetic properties in organic radicals and polyradicals;
- Implications of spin and isomerism in bioorganic molecules (e.g., enzymes, pharmaceuticals).
We look forward to receiving your contributions.
Dr. Chenwei Jiang
Dr. Le Yu
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 250 words) can be sent to the Editorial Office for assessment.
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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
- organic molecules
- photoisomerization
- spin states
- isomerism
- spin crossover
- conformational dynamics
- quantum chemistry
- radical chemistry
- singlet fission
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