Rational design of a room temperature molecular spin switch. The light-driven coordination induced spin state switch...

Area of Science:

• Molecular Chemistry
• Materials Science
• Quantum Chemistry

Background:

• Controlling molecular spin states is crucial for developing advanced electronic devices.
• Photochromic ligands offer a pathway to external control over molecular properties.

Purpose of the Study:

• To rationally design a molecule with a light-switchable spin state at room temperature.
• To achieve reversible switching between diamagnetic and paramagnetic states using visible light.

Main Methods:

• Extensive quantum chemical calculations were employed for molecular design.
• A nickel complex incorporating a photochromic ligand was synthesized and studied.
• Switching stability and efficiency were evaluated through repeated light exposure.

Main Results:

• The designed nickel complex exhibits reversible spin-state switching induced by light (430 and 500 nm).
• The high-spin state shows remarkable stability with a half-life of 400 days at room temperature.
• The molecule demonstrated over 20,000 switching cycles with high efficiency.
• The compound functions as a molecular logic gate with light and pH inputs.

Conclusions:

• Precise geometric and electronic tuning is essential for designing switchable molecular systems.
• This light-responsive nickel complex offers a stable and efficient platform for molecular switching applications.
• The developed molecule holds promise for applications in molecular computing and data storage.