Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1)
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.01.005
Abstract: Abstract Common local and semi-local density functionals poorly describe the molecular physisorption on metal surfaces due to the lack of dispersion interactions. In the last decade, several correction schemes have been proposed to amend this… read more here.
Keywords: aromatic systems; reparameterization strategy; correction; metal ... See more keywords
Recent explorations of palladium-catalyzed regioselective aromatic extension processes
Sign Up to like & getrecommendations! Published in 2020 at "Tetrahedron Letters"
DOI: 10.1016/j.tetlet.2020.152670
Abstract: Abstract Polycyclic aromatic systems are important in synthetic chemistry, material science, and pharmaceutical industry. Therefore, extensive efforts have been made by the aromatic extension for the efficient access to diverse polycyclic aromatic systems. This review… read more here.
Keywords: recent explorations; aromatic systems; palladium catalyzed; aromatic extension ... See more keywords
Alkyne Benzannulation Reactions for the Synthesis of Novel Aromatic Architectures.
Sign Up to like & getrecommendations! Published in 2017 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.7b00385
Abstract: Aromatic compounds and polymers are integrated into organic field effect transistors, light-emitting diodes, photovoltaic devices, and redox-flow batteries. These compounds and materials feature increasingly complex designs, and substituents influence energy levels, bandgaps, solution conformation, and… read more here.
Keywords: aromatic systems; aromatic compounds; benzannulation reaction; reaction ... See more keywords
Adamantane Annulation to Arenes: A Strategy for Property Modulation of Aromatic π-Systems.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.3c02788
Abstract: Peripheral structural modifications of arenes are widely used to control or improve the optoelectronic properties, molecular assembly, and stability of aromatic π-materials as well as to explore new functions. However, known modifications are often tedious… read more here.
Keywords: aromatic systems; annulation; adamantane annulation; modulation aromatic ... See more keywords