Effective intermolecular relaxation in (C6F6)n− clusters: mechanism of C6F6− formation on low energy electron impact

Molecular orbital calculations of the su

Molecular orbital calculations of the substituent effect on intermolecular CH/π interaction in C2H3X–C6H6 complexes (X=H, F, Cl, Br, and OH)

✍ Osamu Takahashi; Yuji Kohno; Ko Saito 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 234 KB

The effect of a substituent group in dimeric complexes of benzene with ethylene and its four derivatives on the intermolecular CH/p interaction was studied theoretically. The hydrogen-bonding nature of the CH/p interaction is confirmed by the bond critical point analysis within the atoms-in-molecule