【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...
Cation-pi_interactionCation-pi_interactionis a between the face of an electron-rich (e.g. , , ) and an adjacent (e.g. Li, Na). This interaction is an example of noncovalent bonding between a monopole (cation) and a (π system). Bonding energies are significant, with solution-phase va...
It is further observed that the EEF imparts a significant impact on the curvature of potential energy surface (PES) bringing about a modification on interaction energy. Similarly, the distance of the cation from the pi-ring is also affected by EEF. Results show an inverse dependence of cation...
The cation-pi interaction. Provides a detailed overview of the cation-pi interaction. Nature of the electrostatic component of the interaction; Origin of compelling evidence for the ... C Jennifer,Dougherty,A Dennis - 《Chemical Reviews》 被引量: 161发表: 1997年 Effects of chain length and N...
Provides a detailed overview of the cation-pi interaction. Nature of the electrostatic component of the interaction; Origin of compelling evidence for the reaction; Role of acetylcholine esterase in cholinergic synapses; Characterization of nicotinic acetylcholine receptors; Method used in the determination...
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 ...
cation–pi interactionsnoncovalent interactionspeptidesprotein modelsThe effects of N-methylation and chain length on a cation interaction have been investigated within the context of a -hairpin peptide. Significant enhancement of the interaction and structural stabilization of the hairpin have been observed...
The nature of the unusual cation-pi interactions between cations (H(+), Li(+), Na(+), Be(2+) and Mg(2+)) and the electron-deficient B=B bond of the triplet state HB=BH (3 Sigma g-) was investigated using UMP2(full) and UB3LYP methods at 6-311++G(2df,2p) and aug-cc-pV...
Furthermore, except for HB...H(+), the sigma-binding interaction energy of the 1:1 complex HB...M(+)/M(2+) is stronger than the cation-pi interaction energy of the C(2)H(2)...M(+)/M(2+), C(2)H(4)...M(+)/M(2+), B(2)H(2) ((1)Delta(g))...M(+)/M(2+)...