Recent developments in and perspectives on three-coordinate boron materials: a bright future
We highlight recent developments in the synthesis, optical and electronic properties of 3-coordinate boron compounds and their applications in materials.
Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers
New phosphine-based ligands and DFT calculations for defect-free conjugated polymers by direct (hetero)arylation polymerization (DHAP).
ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost
We demonstrate how a deep neural network (NN) trained on a data set of quantum mechanical (QM) DFT calculated energies can learn an accurate and transferable atomistic potential for organic molecules containing H, C, N, and O atoms.
High temperature ferromagnetism in π-conjugated two-dimensional metal–organic frameworks
Simulations demonstrate the critical roles of π-conjugation and large magnetic anisotropy in realizing high-temperature ferromagnetic 2D metal–organic framework, which is also half-metallic.
Thermally activated delayed fluorescent phenothiazine–dibenzo[a,j]phenazine–phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence
Incorporation of switchable donors into an acceptor core led to tricolor luminescence and thermally activated delayed fluorescence.
Pyrimidine-based twisted donor–acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence
High-efficiency deep blue thermally activated delayed fluorescence (TADF) emitters consisting of acridan–pyrimidine donor–acceptor motifs are developed.
Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution
Optical and X-ray free-electron laser measurements reveal ligand substitution in an Fe(II)-centered complex extends its MLCT lifetime.
About this collection
We are delighted to present a collection showcasing some of the most downloaded Chemical Science articles of 2017. This provides an easy way to quickly access the most important papers published in Chemical Science this year. These articles highlight exciting and impactful research across a broad range of subject areas, consisting of analytical chemistry, chemical biology, catalysis, energy, inorganic chemistry, materials science, nanoscience, organic chemistry and physical chemistry. We hope you enjoy reading this collection!