Toward atomic resolution diffractive imaging of isolated molecules with X-ray free-electron lasers

Area of Science:

• Molecular Physics
• X-ray Science
• Quantum Chemistry

Background:

• Studying molecular structure and dynamics is crucial for understanding chemical reactions.
• Coherent diffractive imaging (CDI) offers a pathway to visualize molecules at atomic resolution.
• X-ray free-electron lasers (XFELs) provide intense ultrashort pulses for probing molecular dynamics.

Purpose of the Study:

• To perform theoretical analysis and experimental X-ray diffraction on laser-aligned 2,5-diiodobenzonitrile molecules.
• To demonstrate the feasibility of using XFELs for molecular CDI.
• To lay the groundwork for imaging molecular structures and dynamics at picometer and femtosecond scales.

Main Methods:

• Utilized X-ray diffraction on quantum-state selected, laser-aligned gas-phase 2,5-diiodobenzonitrile.
• Conducted experiments at the Linac Coherent Light Source (LCLS).
• Combined theoretical analysis with experimental results.

Main Results:

• Detailed theoretical analysis and experimental results of the X-ray diffraction experiment are presented.
• Successfully aligned gas-phase molecules using intense lasers.
• Demonstrated the potential for atomic-resolution imaging of isolated molecules.

Conclusions:

• The study represents a significant step towards coherent diffractive imaging of molecules.
• XFELs enable the study of structural dynamics of isolated molecules at unprecedented resolution.
• This work paves the way for future atomic-resolution imaging of molecular structures.