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Publikace
Všechny publikace
Polysubstituted 5‐Phenylazopyrimidines Extremely Fast Non‐Ionic Photochromic Oscillators
Angewandte Chemie International Edition 2020 : Early View (2020).
Photochromic systems with ultrahigh rate of thermal relaxation are highly desirable for development of new efficient photochromic oscillators. Based on DFT calculations, we designed a series of 5‐phenylazopyrimidines with strong push‐pull character in silico and observed very low energy barriers of thermal (Z)‐to‐(E) isomerization. The structure of the (Z)‐isomer of the slowest derivative in the series was confirmed by NMR with in situ irradiation at low temperature. The substituents can tune the lifetime of thermal back isomerization from hundreds of ms to several ns (8 orders of magnitude). The photoswitching parameters were extracted from transient absorption techniques and a dominant rotation mechanism of the (Z)‐to‐(E) thermal fading was proposed based on DFT calculations.
Experimental and Theoretical Evidence of Spin‐Orbit Heavy Atom on the Light Atom 1H NMR Chemical Shifts Induced through H⋅⋅⋅I− Hydrogen Bond
Chemistry - A European Journal 2020 : Early View (2020).
Polysubstituted Pyrimidines as mPGES‐1 Inhibitors: Discovery of Potent Inhibitors of PGE2 Production with Strong Anti‐inflammatory Effects in Carrageenan‐Induced Rat Paw Edema
ChemMedChem 2020 : Early View (2020).
Raman Optical Activity of Glucose and Sorbose in Extended Wavenumber Range
ChemPhysChem 21 (12): 1272-1279 (2020).