Tomographic imaging of molecular orbitals

Area of Science:

• Quantum Chemistry
• Attosecond Science
• Molecular Imaging

Background:

• Single-electron wavefunctions (orbitals) govern molecular properties.
• Observing orbitals dynamically is key to understanding chemical reactions.
• Experimental limitations have prevented real-time orbital observation.

Purpose of the Study:

• To develop a method for imaging single molecular orbitals in 3D.
• To observe the dynamics of electron wave packets on reaction timescales.
• To achieve tomographic reconstruction of the highest occupied molecular orbital (HOMO).

Main Methods:

• Utilizing high harmonic generation from intense femtosecond laser pulses.
• Focusing laser pulses on aligned molecules.
• Employing tomographic reconstruction from a series of molecular alignments.

Main Results:

• Successfully imaged the full 3D structure of a single molecular orbital.
• Achieved tomographic reconstruction of the N2 highest occupied molecular orbital.
• Demonstrated the ability to follow attosecond electron wave packet dynamics.

Conclusions:

• High harmonic generation offers a novel route to image single orbitals.
• This technique enables direct visualization of electron dynamics in chemical processes.
• The method opens new avenues for studying the fundamental nature of chemical bonds.