Tuning the C–X…π interaction of benzene–chloroacetylene complexes by aromatic substitutions.

Highlights: [•] The interaction strength of the C–X…π complex can be tuned by up to ∼2.35kcal/mol through substituents. [•] The introduction of electron-donating groups on benzene increased the interaction energy. [•] Whereas electron-withdrawing groups give the opposite effect. [ABSTRACT FROM AUTHOR]