Probing tautomerization configurations of porphycene by non-resonant Raman images

The porphycene with different tautomerization configurations has attractive applications in molecular switch. However, the unambiguous identification of porphycene tautomers is difficult owing to the transient transformation processes. Here, we theoretically demonstrate that the ultrafast non-resonant Raman imaging can effectively identify and distinguish different tautomers, even the deuterated counterparts, providing both structural and chemical information of vibrational modes for a single porphycene molecule. Besides, the intramolecular hydrogen bonding in porphycene could affect the details of images, which in return offers a visualization of hydrogen bonding effects. These findings serve as good references for Raman images on proving single molecular transformation.