Toward tailoring of robust organobases based on extended π-systems: A density functional theory study of the carbonyl basicity
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DOI: 10.1016/j.comptc.2019.112700
Abstract: Abstract The gas phase proton affinity (PA) and basicity (GB) of a series of extended π-systems, possessing carbonyl as the most basic sites, were calculated using the DFT-B3LYP theoretical method. The backbone of the polycyclic… read more here.
Keywords: organobases based; tailoring robust; extended systems; toward tailoring ... See more keywords