Investigation of ESIPT in a panel of chromophores presenting N-H···N intramolecular hydrogen bonds was written by Hubin, Pierre O.;Laurent, Adele D.;Vercauteren, Daniel P.;Jacquemin, Denis. And the article was included in Physical Chemistry Chemical Physics in 2014.Product Details of 19959-77-4 This article mentions the following:
Thermodn. and kinetic aspects of excited state intramol. proton transfer (ESIPT) are investigated in 11 chromophores harboring an intramol. N-H···N hydrogen bond [pyridyl pyrazole, pyridyl pyrrole, azaindole, pyridyl indole, pyrroloquinoline, and an analog of the Blue Fluorescent Protein (BFP) chromophore] with the help of quantum mech. calculations For pyridyl pyrazoles, simulated spectra are used to help the interpretation of exptl. ones and the effects of several substituents are investigated. Then it is shown that Time-Dependent D. Functional Theory fails to satisfactorily describe the energetic aspects of ESIPT for the BFP chromophore analog. Equation-of-Motion Coupled Cluster theory is thus used to reach accurate insights for this challenging case. In the experiment, the researchers used many compounds, for example, 2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4Product Details of 19959-77-4).
2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. The pyrazole ring is resistant to oxidation and reduction but the groups, such as alkyl and formyl attached to the ring, are oxidized to respective acids. Only electrolytic oxidation, ozonolysis, and a strong base cause ring opening.Product Details of 19959-77-4
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics