【3.4.6.2】Cation–pi interaction(阳离子-π相互作用) 阳离子-π相互作用是富电子π系统(例如苯,乙烯,乙炔)和相邻阳离子(例如Li +,Na +)之间的非共价分子相互作用。 这种相互作用是单极(阳离子)和四极(π系统)之间非共价键的一个例子。 结合能非常重要,固溶相值(solution-phase values)与氢键和盐桥在同一数...
而两侧的环的pi电子云也会有一些重叠，就是pi-pi interaction
Cation-pi interaction in model alpha-helical peptides. Cation-pi interactions are increasingly recognized as important in chemistry and biology. Here we investigate the cation-pi interaction by determining its ... Z Shi,CA Olson,NR Kallenbach - 《Journal of the American Chemical Society》 被引量...
The stabilization energy originates in part from electrostatic attraction between the cation, and regions of high electron density in pi-orbitals of the aromatic group, leading to the name cation-pi interaction. The lysine and tyrosine containing peptide, N-acetyl-Pro-Pro-Lys-Tyr-Asp-Lys-NH(2)...
Cation-pi interaction - a key force for sorption of fluoroquinolone antibiotics on pyrogenic carbonaceous materials. Cation-pi attraction is a major force that determines macromolecular structures and drug-receptor interactions. However, the role of the cation-pi interaction in sorption of amino ...
Electrospray ionisation mass spectrometry was used to investigate the cation-pi interaction of Tl+ with [7]helicene. Further, applying quantum mechanical calculations in the frame of the density functional theory, applying B3LYP functional with Def2TZVP basis set, the most probable structure of the ...
The atoms in molecules (AIM) theory was also applied to verify covalent interactions in the H(+) complexes and confirm that HB=BH (3 Sigma 3-) can be a weaker pi-electron donor than HB=BH ((1)Delta(g)), H(2)C=CH(2) or HC identical with CH in the cation-pi interaction. ...