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Reconstruction of three-dimensional molecular structure from diffraction of laser-aligned molecules
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Diffraction from laser-aligned molecules has been proposed as a method for determining 3-Dmolecular structures in the gas phase. However, existing structural retrieval algorithms are limited by the imperfect alignment in experiments and the rotational averaging in 1-D alignment. Here, we demonstrate a two-step reconstruction comprising a genetic algorithm that corrects for the imperfect alignment followed by an iterative phase retrieval method in cylindrical coordinates. The algorithm was tested with simulated diffraction patterns. We show that the full 3-Dstructure of trifluorotoluene, an asymmetric-top molecule, can be reconstructed with atomic resolution.
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