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Intramolecular Hydrogen Bonds

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

Deadline for manuscript submissions: 31 October 2026 | Viewed by 171

Special Issue Editor


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Guest Editor
School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China
Interests: metal hydrides; hydrogen bridge bonding; matrix isolation; infrared spectroscopy; computational chemistry; Raman spectroscopy; hydrogen energy chemistry and materials; hydrogen evolution reaction
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Special Issue Information

Dear Colleagues,

Intramolecular hydrogen bonds (IHBs) play a pivotal role in modern organic and inorganic, supramolecular and medicinal chemistry, influencing molecular conformation, stability, reactivity and physicochemical properties. Their ability to modulate polarity, membrane permeability and molecular recognition makes them essential for the design of functional molecules and advanced materials.

Despite significant progress, important challenges remain, including the crucial role of intramolecular hydrogen bonds and intramolecular proton transfer for the synthesis and design of coordination compounds, intramolecular H-bonding strengthened by a conjugated π-system and charge-assisted hydrogen bonding, which continue to limit our fundamental understanding and practical control of intramolecular hydrogen bonding.

Recent advances—such as intramolecular proton transfer, intramolecular hydrogen-bonded organic frameworks and organic cage compounds as well as bioactive compounds by intramolecular hydrogen bonds have greatly expanded the scope of research on IHBs, offering new tools for probing, manipulating and applying these interactions. These developments have opened new directions in areas such as conformational analysis, drug design, catalysis and materials science, while providing deeper insights into structure–property and structure–activity relationships.

This Special Issue aims to highlight the latest achievements and future perspectives in the study of intramolecular hydrogen bonds, covering all topics of the chemistry of IHBs, which seeks to emphasize the central importance of intramolecular hydrogen bonding in contemporary molecular science and its potential to address emerging scientific and technological challenges.

We look forward to your submissions.

Prof. Dr. Xuefeng Wang
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 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. 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

  • intramolecular hydrogen bonds
  • intramolecular proton transfer
  • charge-assisted hydrogen bonding
  • molecular conformation
  • supramolecular chemistry

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Published Papers

This special issue is now open for submission.
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