Structure determination of Iron(II) phthalocyanine

Solution state NMR spectroscopy is not applicable to a paramagnetic metal complex because of the broadened signals due to its quick spin relaxation. Mass spectrometry (MS) and infrared spectroscopy (IR) are not suitable for intuitive structure speculation. By applying single crystal X-ray analysis (SCX), a single crystal even with a size of a few micrometers can afford precise three-dimensional molecular structure. Crystal system in bulk state can also be determined by PXRD pattern simulated from the SCX diffraction data. .


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