cation-pi-pianalysisMP2/6-311++G(d, p) calculations have been carried out on binary complexes formed by two aromatic benzene rings or a benzene ring and a cation (viz. Li+, Na+, K+, NH4+, PH4+, OH3+ and SH3+) to gauge at pi-pi and cation-pi interaction energy in these ...
【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 interactions: Nonadditive affects are critical in their accurate representation. Illustrates the importance of nonadditive effects in describing cation-pi interactions. Standard molecular mechanical methods in molecular systems; Model t... Caldwell,James,W.,... - 《Journal of the American Chem...
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...
Energetically, cation-p interactions are comparable to or stronger than either a typical hydrogen bond or interaction between ion pairs (salt bridge) and thus make a significant contribution to the recognition and binding of ligands to their receptors and can be valuable when predicting drug-receptor...
Cation-pi and anion-pi interactionsIn this review, we analyze the interaction of ions with aromatic ringsFronteraQuioneroDeyàCation-pi and anion-pi interactions. Antonio Frontera,David Quinonero,Pere M. Deya. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE . 2011...
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)...
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...
如果说阳离子金属在水溶液中会溶剂化，那么原理是什么，无非也就是个正电和负电的配位作用。关于你的...
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...