An Electrically Conductive Single-Component Donor-Acceptor-Donor Aggregate with Hydrogen-Bonding Lattice

Area of Science:

• Materials Science
• Solid-State Chemistry
• Supramolecular Chemistry

Background:

• Development of single-component conductive materials is crucial for advanced electronics.
• Donor-Acceptor (D-A-D) systems offer tunable electronic properties.
• Protonated bimetal dithiolates are explored for their potential conductive behavior.

Purpose of the Study:

• To construct and characterize a novel single-component D-A-D aggregate.
• To investigate the electrical conductivity and pressure-dependent behavior of the material.
• To elucidate the mechanisms behind conductivity enhancement under pressure.

Main Methods:

• Synthesis and single-crystal X-ray diffraction of a protonated bimetal dithiolate (complex 1H2).
• Electrical transport measurements under varying pressures (up to 8.8 GPa).
• Theoretical band structure calculations.
• Analysis of structural and optical changes under pressure.

Main Results:

• A single-component D-A-D aggregate with segregated D and A moieties in 1-D π-stacking columns was successfully constructed.
• The material exhibits semiconducting behavior (Ea = 0.29 eV) at ambient pressure.
• Electrical conductivity significantly increases under high pressure (up to 8.8 GPa), with reduced resistivity and activation energy (Ea = 0.13 eV).

Conclusions:

• The 1-D segregated π-stacking and hydrogen bonding stabilize the conductive pathway.
• Pressure-induced enhancement of conductivity is attributed to increased π-π overlap and intramolecular charge transfer.
• This study presents a promising single-component material for pressure-sensitive electronic applications.