π Bonding from Cation?π Intermolecular Interactions:? A Quantum Chemistry Study Using Density-Functional Theory and Morokuma Decomposition Methods. Journal of Physics . 2003Differentiation of Cation?π Bonding from Cation?π Intermolecular Interactions:? A Quantum Chemistry Study Using Dens...
Empty CellHydrogen bondingElectrostaticDispersiveCation–πPreferential interactionPreferential hydrationCH–aromatic Carbohydrates ● ● ● ● TMAO, glycerol ● ● ● Urea ● ● ● Ions ● ● ● ● ● ● Arginine ● ● ● ● ● ● Surfactants ● ● Notes: TMAO-trimethylamine-N-oxide. ...
Though these bonds are individually quite weak, their effects can be additive and in macromolecular systems their influence can be pronounced C H2 C H2 C H2 C H2 4 x -1.82 = -7.28 kcal/mol OH and NH Bonding to Aromatics ! Alcohols, amides and amines all bind to aromatic rings O O H...
importance in controlling the rate of the reaction; dπ–pπ bonding between the 'π-excessive' heterocycle and the phosphorus 3d orbitals does not appear to play a significant role in controlling the rate of nucleophilic attack at ... DW Allen - 《Journal of the Chemical Society B Physical...
We review studies on model helical peptides that reveal the effect of weak interactions between side chains on helix stability, focusing on some nonclassical side-chain-side-chain interactions: complex salt bridges, cation-pi, and C-H em leader O H-bonding interactions. Each of these can be ...
It is clear that the bonding in such systems is quite different from the effect we are discussing here because of interactions with d orbit- als on the metal. In fact, it seems unreasonable to consider complexes such as Ag+‚‚‚C6H6 as being ...
This interaction is an example of noncovalent bonding between a monopole (cation) and a (π system). Bonding energies are significant, with solution-phase values falling within the same order of magnitude as and . Similar to these other non-covalent bonds, cation–π interactions play an ...
C—H … O H-bonding interactionsIt is generally understood that helical proteins are stabilized by a combination of hydrophobic and packing interactions, together with H-bonds and electrostatic interactions. Here we show that polar side-chain interactions on the surface can play an important role ...
In the present study, H-Mg-H center dot center dot center dot X center dot center dot center dot Y (X = Li+, Na+ and Y = C2H2, C2H4, C6H6) triads have been investigated at MP2/6-311++ G(2d, 2p) computational level to characterise cooperative effects between hydride bonding and ...
H-bondingMP2SAPT2BN-CC isosterismAn understanding of how various cations and water molecules form complexes with BN-indoles, inorganic counterparts of indole, may provide vital insights for its applications in biology as a motif of unnatural tryptophan. In this paper, we study mutual influences ...