Synthesis of yellow and red fluorescent 1,3a,6a-triazapentalenes and the theoretical investigation of their optical properties† †Electronic supplementary information (ESI) available: the experimental details for the synthesis of the triazapentalenes and the fluorescent cell staining, the absorption and fluorescence spectra, and the 1H and 13C NMR spectra. Also given are the molecular orbitals, the natural charges, the dipole moments, and the Cartesian coordinates of the triazapentalenes (1a, 1b, 1g, 1e, and 1f). See DOI: 10.1039/c4sc02780a Click here for additional data file.

Synthesis, spectroscopic (NMR and FT-IR) and theoretical (HF and DFT) investigation of dimethyl (Z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butendioate

Dimethyl (z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butenedioate has been synthesized using one-pot three component reaction between N-isocyaniminotriphenylphosphorane (Ph3PNNC), 3-methylcyclopentene-1,2-dione and dimethyl acetylenedicarboxylate. Also, optimized geometry and nuclear magnetic resonance ( NMR ) of the title compound are evaluated using HF and B3LYP methods and 6-311+G(d) basis s...

Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes† †Electronic supplementary information (ESI) available: General details, synthesis and spectroscopy data of new compounds and copies of 1H and 13C-NMR spectra of new compounds. Experimental details on optical and electrochemical measurements. Crystal data and structure refinement of compounds 2, 6a, 6d and 6h. Further details on theoretical calculations and Cartesian coordinates of computed structures. VT-1H-NMR, 2D-NMR and HRMS spectra of compounds 1 and 2. CCDC 1485682–1485685. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc02895k Click here for additional data file. Click here for additional data file.

a. Departamento Química Orgánica, Universidad de Granada (UGR). C. U. Fuentenueva,18071 Granada, Spain. email: [email protected], [email protected] b. Departamento de Fisicoquímica, Facultad de Farmacia, UGR. Cartuja Campus, 18071 Granada, Spain. c. Departamento de Química Orgánica I, Universidad del País Vasco, E-20018, San Sebastián (Spain) d. Departamento de Química, Universidad Autónoma de Mad...

Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light† †Electronic supplementary information (ESI) available: Synthesis, 1H NMR spectra, 13C NMR spectra, UV absorption plots, HPLC traces, and CD spectra of the compounds; crystallographic information files. CCDC 1003754. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc01993h Click here for additional data file. Click here for additional data file.

Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck–Suzuki reaction† †Electronic supplementary information (ESI) available: Full experimental details, 1H and 13C NMR spectra and X-ray crystallographic data for compound 4d. CCDC 936207. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc02547d Click here for additional data file. Click here for additional data file.

Convergent synthesis and optical properties of near-infrared emitting bioluminescent infra-luciferins† †Electronic supplementary information (ESI) available: General experimental details, copies of 1H and 13C NMR spectra and optical imaging details. See DOI: 10.1039/c6ra19541e Click here for additional data file.

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