Chem

Raw data associated with Figures in the main text and xyz coordinates of optimized geometries in the manuscript titled Anion Binding in Solution: Beyond the Electrostatic Regime published in Chem, 2017

Data to report https://doi.org/10.1016/j.chempr.2024.05.023: Natural photosystems accomplish panchromatic light absorption by different chromophores that are non-covalently embedded in protein matrices and mostly lack close dye-dye interactions. In this article, we introduce a light-harvesting (LH) system established by four different merocyanine dyes that are co-facially stacked by dipole-dipole interactions and a peptide-like backbone in a folded heteromer architecture to afford a panchromatic absorption band consisting of several strongly coupled exciton states. This exciton manifold allows for ultrafast and efficient energy transport in the artificial antenna. Furthermore, due to the tight stacking of the dyes in their folded state, non-radiative processes are slowed down, thereby increasing the lifetime of the excited state and the fluorescence quantum yield from <3% for the individual dyes up to 38% for the folda-heteromer. Together with the panchromatic absorption, this leads to a substantial improvement of the fluorescence brightness upon broadband excitation in comparison with its constituent chromophores.

Dataset for 'Rapid determination of experimental sorption isotherms from non-equilibrium sorption kinetic data' article published in Chem (https://doi.org/10.1016/j.chempr.2024.01.011) Data analysis and visualization code, and data analysis GUI software has been deposited at https://github.com/AndreyBezrukov/SKID.

Covalent organic frameworks (COFs) have emerged as a new class of molecularly precise, porous functional materials characterized by broad structural and chemical versatility, with a diverse range of applications. Despite their increasing popularity, fundamental aspects of COF formation are poorly understood, lacking profound experimental insights into their assembly. Here, we use a combination of in situ X-ray powder diffraction and Raman spectroscopy to elucidate the reaction mechanism of mechanochemical synthesis of imine COFs, leading to the observation of key reaction intermediates that offer direct experimental evidence of framework templating through liquid additives. Moreover, the solid-state catalyst scandium triflate is instrumental in directing the reaction kinetics and mechanism, yielding COFs with crystallinity and porosity on par with solvothermal products. This work provides the first experimental evidence of solvent-based COF templating, and is a significant advance in mechanistic understanding of mechanochemistry as a green route for COF synthesis. This dataset contains all data from analytical measurements including FT-IR spectra, raw XRD patterns, 1H and 13C ssNMR and lNMR spectra, N2 sorption isotherms, pore-size distributions, BET plots, calculated NMR chemical shifts, CIFs of the journal article mentioned under the related publication. Open *.cif and *.xyz files with a visualization software (see http://ww1.iucr.org/iucr-top/cif/), *.raw files with WinXPOW, *.sp files with PerkinElmer Spectrum software, *.mnova files with MestReNova, *.fq/.gr/iq/sq files with a text editor, .qps with ASiQwin, and *.pro files with TOPAS.

Supplementary material: N2 adsorption, PXRD, XPS, SEM, TEM, testing data, GC chromatographs, TGA, IR, transition state energy calculations

Infrared and NMR spectra of results of catalytic deconstruction/functionalization of polyolefins, and solid-state DNP-enhanced NMR spectra of catalytic materials

Infrared and NMR spectra of results of catalytic deconstruction/functionalization of polyolefins, and solid-state DNP-enhanced NMR spectra of catalytic materials