Article ID Journal Published Year Pages File Type
5394794 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► σ- and π-type interactions are observed between C4H4O/C4H4S/C5H5N and ClF/HCl. ► C4H4S…HCl/ClF and C4H4O…ClF prefer π-type geometry, violating Legon-Millen rule. ► σ- and π-type geometries are easily transformed for C4H4O/C4H4S…ClF/HCl. ► The electrostatic and orbital interactions play the key roles.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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