Aromatic Character and Relative Stability of Pyrazoloporphyrin Tautomers and Related Protonated Species: Insights into How Pyrazole Changes the Properties of Carbaporphyrinoid Systems
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DOI: 10.3390/molecules28062854
Abstract: Pyrazoloporphyrins (PzPs), which are porphyrin analogues incorporating a pyrazole subunit, are examples of carbaporphyrin-type structures with a carbon atom within the macrocyclic cavity. DFT calculations were used to assess a series of 17 PzP tautomers,… read more here.
Keywords: relative stability; pyrazoloporphyrin tautomers; aromatic character; stability pyrazoloporphyrin ... See more keywords