Orchestrating Communications in a Three-Type Chirality Totem: Remote Control of the Chiroptical Response of a Möbius Aromatic System.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b04074
Abstract: Among the various types of chirality (central, axial, helical, planar…), that inherent to Möbius topology remains almost unex-plored, partly due to the difficulty to access Möbius compounds. Over the last decade, [28]hexaphyrins have revealed among… read more here.
Keywords: chirality; chiroptical response; bius aromatic; response bius ... See more keywords
Thermo-Electrical Conduction of the 2,7-Di([1,1'-Biphenyl]-4-yl)-9H-Fluorene Molecular System: Coupling between Benzene Rings and Stereoelectronic Effects.
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DOI: 10.3390/molecules25143215
Abstract: Theoretical and analytical thermal and electrical properties are studied through the 2,7-Di([1,1′-biphenyl]-4-yl)-9H-fluorene aromatic system as a prototype of a molecular switch. Variations of the dihedral angles between the two Benzene rings at each end of… read more here.
Keywords: system; aromatic system; thermo electrical; biphenyl fluorene ... See more keywords
Analysis of Conformational Preferences in Caffeine
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DOI: 10.3390/molecules27061937
Abstract: High level DLPNO–CCSD(T) electronic structure calculations with extended basis sets over B3LYP–D3 optimized geometries indicate that the three methyl groups in caffeine overcome steric hindrance to adopt uncommon conformations, each one placing a C–H bond… read more here.
Keywords: preferences caffeine; aromatic system; analysis conformational; conformational preferences ... See more keywords