Synthesis and complexation study of new ExTTF-based hosts for fullerenes

Area of Science:

• Supramolecular Chemistry
• Organic Chemistry
• Materials Science

Background:

• Fullerenes (C60 and C70) are important carbon allotropes with unique electronic properties.
• Supramolecular chemistry focuses on the study of non-covalent interactions and molecular recognition.
• Developing selective host molecules for fullerene binding is crucial for their applications.

Purpose of the Study:

• To synthesize novel extended tetrathiafulvalene (exTTF) based host molecules.
• To investigate the supramolecular binding affinities of these hosts towards C60 and C70 fullerenes.
• To establish a direct relationship between the host's structure and its binding affinity for fullerenes.

Main Methods:

• Synthesis of a new series of exTTF host compounds.
• Determination of binding constants for C60 in various solvents (chlorobenzene, toluene, toluene-CH2Cl2, CS2).
• Analysis of binding modes (1:1 and 2:1) based on host structure and linker variations.

Main Results:

• A direct structure-affinity relationship was established for fullerene binding.
• Receptors with two exTTF moieties exhibited higher binding affinities for C70 compared to C60.
• Different binding modes were observed depending on the linker connecting the exTTF unit to the host core.

Conclusions:

• The designed exTTF hosts demonstrate tunable binding capabilities for fullerenes.
• The number of exTTF units and the linker structure significantly influence binding affinity and mode.
• These findings contribute to the rational design of selective fullerene receptors for advanced applications.