Tautomerism and Proton Transfer—Fundamental Aspects and Applicability
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".
Deadline for manuscript submissions: 31 December 2026 | Viewed by 110
Special Issue Editor
2. Institute of Electronics Bulgarian Academy of Sciences, 1784 Sofia, Bulgaria
Interests: tautomerism; proton transfer; hydrogen bonding; molecular switches; molecular sensors; dye chemistry; solvent effect; photo-, halo- and thermochromism; molecular spectroscopy; computational chemistry; photochemistry
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Prototropic tautomerism, defined by one of its early investigators as ‘‘the addition of a proton at one molecular site and its removal from another’’ is one of the most important phenomena in organic chemistry. The tautomerism by itself is structurally determined, but also strongly affected by the environment. The research in this field is mainly directed into understanding of the fundamental aspects of the structure and the environment. However, the tautomeric change in the structure means change in properties. This makes for great impacts to applicability, such as in the structure and performance of organic functional materials (according to various estimates between 60 and 80% of the commercial dyes are tautomeric), new hi-tech applications (OLEDs, laser dyes, irradiation protection, molecular electronics elements, etc.) and bioactivity (~70% of the commercial drugs are tautomeric, as well as a large amount of natural bioactive compounds).
Tautomerism is an interdisciplinary topic with very broad range of tools to be used, from advanced theoretical chemistry and cheminformatics—through a variety of purely chemical experiments (organic synthesis, steady-state and time-dependent spectroscopies, NMR and IR spectroscopies, scanning probe microscopy, and crystallography; in gas phase, solution and solid state)—to drug design and bioactivity testing. In this way, the current Special Issue gives an excellent opportunity for an exchange of research results and ideas related to prototropic tautomerism and proton transfer in ground and excited states in the gas phase, solution and solid state.
Prof. Dr. Liudmil Antonov
Guest Editor
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Keywords
- tautomerism
- proton transfer
- hydrogen bonding
- molecular switches
- molecular sensors
- dye chemistry
- organic synthesis
- solvent effect
- photo-, halo-, and thermochromism
- molecular spectroscopy
- computational chemistry
- photochemistry
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