Exploring Inter- and Intramolecular Interactions as Building Blocks of Larger Systems II
A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".
Deadline for manuscript submissions: closed (15 April 2024) | Viewed by 245
Special Issue Editor
Interests: chemistry; computational chemistry; toxicology and pharmaceutics; chemical physics; biochemistry; materials science; molecular dynamics
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
I would like to draw your attention to a new Special Issue devoted to the exploration and understanding of inter- and intramolecular interactions. The elusive concept of “chemical intuition”—a natural attraction to elegance and beauty—motivates us to look for symmetry and order in molecules and their assemblies. Many known factors affect the presence of symmetry in molecular systems, e.g., protonation, aromaticity, neighboring molecules, and a more distant environment. Here, are some examples of not-so-obvious manifestations of the role of internal molecular reorganization and intermolecular interactions responsible for self-organization of molecules to large systems. Let us look for a moment at “proton sponge” types of compounds. In their protonated forms, they could be of high symmetry in the case of a single-well bridge proton potential function. What happens when such symmetry is broken? What if the energy barrier is low enough so that the proton jumps very fast between the minima and the effective potential can be symmetric at the experimental time scale? Another case: What is the role of the solvation shell on the symmetry of the solvated molecule? Vice versa, how strong can the solvation shell ordering effect of a strongly polar molecule in solution be? Additionally, what happens to a molecule of high symmetry in a lower-symmetry crystal environment? A lot of the effort of physical and computational chemistry is devoted to such questions concerning very diverse classes of compounds. Therefore, this Special Issue will cover recent examples of the interplay between intramolecular bonds, intermolecular interactions, symmetry, and order of small and extended molecular systems.
Dr. Aneta Jezierska
Guest Editor
Manuscript Submission Information
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Keywords
- intra- and intermolecular interaction
- IR
- NMR
- X-ray diffraction
- computational chemistry/physics
- bonding and non-bonding interactions
- nanomaterials
- drug design
