Only one photo will emerge victorious

Only one photo will emerge victorious

Extended π-conjugated systems are often insoluble, and their aggregation manner greatly affects their absorption spectra. This study produced a planar, soluble, and nonaggregated hexarylene-bisimide (HB) with appropriate substituents. The single-crystal X-ray structure of HB confirmed the planar molecular structure with small twist angles and the dimerization behavior of HB in the solid state. The concentration-dependent 1H NMR experiments in CDCl3 indicated that the association constant Kdimer is 4.6 × 103 M–1 at 298 K and ΔGdimer (298 K) = −20.8 kJ mol–1. The longest absorption of HB at the monomeric state exhibits a sharp and intense peak at 921 nm (ε = 230,000 M–1 cm–1, full width at half-maximum = 718 cm–1) in toluene. 75% of the absorption of HB above 400 nm appears in the near-infrared region, thus giving a practically colorless solution. Magnetic circular dichroism spectra of a series of oligorylene-bisimides reveal the predominant contribution of the linear polyene-like conjugation over the annulene-like conjugation for larger [n]oligorylene-bisimides.

In a new study led by Oxford University's Department of Chemistry, chemists have demonstrated the synthesis of a cyclocarbon that is stable enough for spectroscopic characterization in solution at roo...

Chemical & Engineering News (C&EN): Keeping you up to date with the chemistry news that matters most. Published by the American Chemical Society.

Over the past decades, carbon allotropes have been extensively studied and applied to various technological applications due to their unique electronic and optical properties. Contemporary research ha...

A “symmetry-broken” hexabenzocoronene-fluoranthene fluorescent dye was synthesized using an easily scalable reaction. Green emission at around 500 nm, a maximum photoluminescence quantum yield of 67%....

This article describes the philosophy behind- and new features in the ORCA quantum chemistry program suite, version 6.0.

Twisted nanographenes (NGs) are currently attracting a lot of attention owing to their geometrical and electronic structures that differ substantively from conventional planar and nonplanar NGs, while...

A new hybrid nanocarbon composed of dissimilar naonosheets, has been synthesized. This hybrid possesses electronic properties similar to its components and exhibits a highly curved structure with con...

Python package for the generation of Supporting Information files from quantum chemical calculation output - RubiaLab/pySupport

Karplus's techniques combined classical and quantum mechanical approaches to model complex chemical systems

YouTube video by Wojtek Stawski