Janus second-order nonlinear optical dendrimers: their controllable molecular topology and corresponding largely enhanced performance† †Electronic supplementary information (ESI) available: The structures of dendrimers in the previous study and the related parameters, the synthesis of compounds, NLO measurements including NLO coefficient theories, the preparation of thin films, measurement condition and error analysis, molecular mechanics simulation including calculation method and results, NMR spectra, TOF mass spectra, UV-vis absorption spectra, TGA and DSC thermograms, and UV-vis absorption of thin films before and after poling. See DOI: 10.1039/c6sc02956f Click here for additional data file.

TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives

The electronic structure and spectra of 3-formylchromone and some of its derivatives are investigated using TD-DFT/B3LYB/6-311G (d, p) level of theory. The results of calculations show that all the studied compounds 1–6 are planar, as indicated from the dihedral angles. The electronic absorption spectra of the studied compounds are recorded in the UV-Vis region, in both ethanol (as polar solven...

Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups† †Electronic supplementary information (ESI) available: Experimental details. Additional views of the molecular structures from X-ray diffraction. Cyclic voltammograms of 2 and 3. Plots of calculated lowest energy transitions versus UV-visible absorption spectra. Variable-temperature emission and excitation spectra. Copies of all NMR spectra. Cartesian coordinates of all optimised geometries. CCDC 1010408–1010412. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc02410a Click here for additional data file. Click here for additional data file.

Institut für Anorganische Chemie, Julius Hubland, 97074 Würzburg, Germany. E-ma School of Medicine, Pharmacy and Health, Stockton-on-Tees, TS17 6BH, UK Department of Chemistry, University of Tor M5S 3H6, Canada Institut für Organische Chemie, JuliusHubland, 97074 Würzburg, Germany † Electronic supplementary information Additional views of the molecular stru voltammograms of 2 and 3. Plots of ca...

A facile route to electronically conductive polyelectrolyte brushes as platforms of molecular wires† †Electronic supplementary information (ESI) available: 1H NMR, 13C NMR, FTIR and UV/Vis absorption spectra of the monomer; FTIR spectra, contact angle, and ellipsometric measurements of the photoiniferter monolayer. Determination of the thicknesses, UV/Vis absorption spectra, current and adhesion mapping by AFM and XPS measurements of the brushes. AFM topography image of the brushes in water. Experimental results of the investigation of the mechanism of the template polymerization. Calculations of the brush conductivities. See DOI: 10.1039/c4sc04048a Click here for additional data file.

Jagiellonian University, Faculty of Chemistr E-mail: [email protected] † Electronic supplementary information ( and UV/Vis absorption spectra of the mon ellipsometric measurements of the photo the thicknesses, UV/Vis absorption spect AFM and XPS measurements of the br brushes in water. Experimental results of the template polymerization. Calculation 10.1039/c4sc04048a Cite this: Chem. S...

5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents† †Electronic supplementary information (ESI) available: General experimental methods, HR-ESI-TOF mass spectra, UV/Vis absorption spectra, NMR spectra, cyclic voltammograms, X-ray crystal structures and results of DFT calculations. CCDC 1025770, 1025771 and 1025772. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03394a Click here for additional data file. Click here for additional data file.

Department of Chemistry, Graduate Schoo Kyoto 606-8502, Japan. E-mail: osuka@kuc Spectroscopy Laboratory for Functional p Chemistry Yonsei University, Seoul 120-749 † Electronic supplementary information methods, HR-ESI-TOF mass spectra, UV cyclic voltammograms, X-ray crystal struc CCDC 1025770, 1025771 and 1025772. Fo or other electronic format see DOI: 10.103 Cite this: Chem. Sci., 2015, 6, 1696

Flat-on ambipolar triphenylamine/C60 nano-stacks formed from the self-organization of a pyramid-sphere-shaped amphiphile† †Electronic supplementary information (ESI) available: 1H and 13C NMR spectra, TGA, DSC, XRD, simulated ED patterns, UV-Vis spectra, reduction and oxidation cyclic voltammetry curves. See DOI: 10.1039/c5sc04242a Click here for additional data file.