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• W3176202205 startingPage "12380" @default.
• W3176202205 abstract "Abstract Several boron compounds with 2‐(imidazo[1,5‐ a ]pyridin‐3‐yl)phenols, differentiated by the nature of the substituent (R) in the para position of the hydroxy group, have been synthesized and thoroughly characterized both in solution ( 1 H, 13 C, 11 B, 19 F NMR) and in the solid state (X‐ray). All derivatives displayed attractive photophysical properties like very high Stokes shift, high fluorescence quantum yields and a good photostability in solution. Time‐Dependent Density Functional Theory (TD‐DFT) calculations allowed to define the main electronic transitions as intra ligand transitions ( 1 ILT), which was corroborated by the Natural Transition Orbitals (NTOs) shapes. The HOMO‐LUMO energy gap was correlated to the electronic properties of the substituent R on the phenolic ring, as quantified by its σ p Hammett constant." @default.
• W3176202205 created "2021-07-05" @default.
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• W3176202205 date "2021-07-12" @default.
• W3176202205 modified "2023-10-17" @default.
• W3176202205 title "Driving the Emission Towards Blue by Controlling the HOMO‐LUMO Energy Gap in BF ₂ ‐Functionalized 2‐(Imidazo[1,5‐ <i>a</i> ]pyridin‐3‐yl)phenols" @default.
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• W3176202205 doi "https://doi.org/10.1002/chem.202101520" @default.
• W3176202205 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8456857" @default.
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