Stimuli-Responsive Molecular Crystals: From Structure to Function

Dear Colleagues,

Molecular crystals that respond dynamically to external stimuli represent a rapidly emerging class of functional materials. Mechanical actuation, reversible phase transitions, anisotropic expansion, color changes, and conductivity switching are just a few of the remarkable properties these systems can exhibit when exposed to temperature variations, pressure, light, or mechanical force.

Understanding these phenomena requires an interdisciplinary approach: molecular and crystal design from synthetic chemistry; detailed structural analysis by crystallography and spectroscopy; and theoretical modeling to uncover structure–property relationships. The rational design of responsive crystals, guided by molecular and supramolecular chemistry, also opens perspectives for future applications in sensing, actuation, and data storage.

This Special Issue will focus on the chemical principles underlying stimuli-responsive molecular crystals, with emphasis on the relationship between molecular structure, chemical bonding, and observed responsiveness. We welcome contributions ranging from synthetic strategies and supramolecular design to chemical and crystallographic characterization of phase transitions and responsive phenomena. Computational and theoretical studies that provide relevant insights into molecular interactions and structure–function relationships are also encouraged.

Topics of Interest:

• Synthesis and design of responsive molecular crystals;
• Solid-state chemical reactivity and phase transitions;
• Polymorphism and cocrystal formation as routes to functional behavior;
• Thermosalient, photosalient, and piezochromic effects;
• Crystallography under high pressure and variable temperature;
• Crystal engineering strategies to tune intermolecular interactions;
• Structure–property correlations in chemically engineered crystals;
• Computational modeling and prediction of responsive behavior;
• Molecular alloys and solid solutions as tools to tune response;
• Applications of molecular crystals in sensors, actuators, and optoelectronics.

Prof. Dr. Željko Skoko
Guest Editor

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