Selection of Representative Asphaltene Molecules in an Asphalt Molecular Model Based on Quantum Chemistry and Statistical Analysis.

Asphaltenes, as the most complex and strongly polar component among the four components of asphalt, have a significant impact on the macroscopic physicochemical properties of asphalt. Currently, the vast variety of molecular structures used to characterize asphaltenes increases the construction complexity of asphalt molecular models. To construct a more realistic asphalt molecular model and reduce the construction difficulty, this investigation obtains the molecular morphology, molecular polarity, and infrared spectrum indicators of 21 asphaltene molecules through quantum chemical calculations.

Visible light-induced -difluoroallylation of [1.1.1]propellane to access -difluoroallylic bicyclo[1.1.1]pentanes.

Bicyclo[1.1.1]pentanes (BCPs) represent an important compound class often used as linear spacer units to enhance pharmacokinetic profiles in modern drug design.