Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold...

Area of Science:

• Inorganic Chemistry
• Materials Science
• Solid-State Chemistry

Background:

• Gold dithiolene complexes are known for their interesting electronic and magnetic properties.
• Single-component molecular conductors offer potential for advanced electronic applications.

Purpose of the Study:

• To synthesize and characterize a novel hydroxyethyl-substituted gold dithiolene complex.
• To investigate the structural, electronic, and magnetic properties of the neutral radical species.
• To compare its properties with the ethyl analogue and understand substituent effects.

Main Methods:

• Anionic complex synthesis and oxidation via electrocrystallization.
• Single-crystal X-ray diffraction for structural analysis.
• Electrical conductivity measurements and magnetic property analysis.

Main Results:

• The anionic complex exists as cis and trans isomers with O-H···S hydrogen bonding.
• The neutral radical complex [Au(EtOH-thiazdt)2](•) is semiconducting (σRT = 0.05-0.07 S cm(-1)).
• Structural and property comparisons reveal weak effects of the hydroxyethyl substituent on overlap interactions, with added hydrogen bonding.

Conclusions:

• The hydroxyethyl substituent minimally impacts conductivity compared to the ethyl analogue.
• Intermolecular hydrogen bonding plays a role in the crystal packing and properties of the gold dithiolene complex.
• This study contributes to the understanding of structure-property relationships in molecular conductors.