Zhu W L,Tan X J,Shen J H,Luo X M,Cheng F,Puah C M,Ji R Y,Chen K X,Jiang H L.Differentiation of cation-π bonding from cation-π intermolecular interactions: A quantum chemistry study us- ing density-functional theory and morokuma decomposition methods. Journal of Physi...
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 ...
Cation-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 values falling within ...
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 dominated by noncovalent interactions. Also...
Bonding mode of nitrogen heterocyclic ligands to (.eta.5-cyclopentadienyl)ruthenium cation and reactivity studies of the nitrogen and .pi.-bonded complexes... Bonding mode of nitrogen heterocyclic ligands to (.eta.5-cyclopentadienyl)ruthenium cation and reactivity studies of the nitrogen and .pi.-...
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...
with ion-dipole interaction playing an important role.We found that the trend of pi and non-pi cation bonding distances(Na~+-pi>Na~+-N>Na~+-O and K~+-pi>K~+-N>K~+-O)in our theoretical Na~+/K~+-Phe structures are in agreement with the reported X-ray crystal structures of ...
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 ...
π-Arene/Cation Structure and Bonding.Solvation versus Ligand Binding in Iron (Ⅲ) Tetraphenylporphyrin Complexes of Benzene,Toluene,p-Xylene,and[60]Fullerene. EVANS D R,FACKLER N L P,XIE Z,RICKARD C E F,BOYD P D W,REED C A. Journal of the American Chemical Society . 1999...
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 ...