Urea Destabilization of DNA and RNA Double Helices: Preferential Interactions with Nucleobase Conjugated Pi-Pi-Systems

Nucleobase-fluorobenzene interactions: hydrogen bonding wins over pi stacking.

Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study

In this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. X-ben||TAZ∙∙∙Y1,Y2,Y3 complexes (X = CN, F, Cl, Br, CH3 , OH and NH2, TAZ= s-triazine and Y1,Y2 and Y3 denotes PH2F, HSF, and ClF molecules) is introduced as a model. The results show that inte...

Triplet energies of pi-conjugated polymers.

Using pulse radiolysis and triplet energy transfer has enabled us to measure the triplet energies in a broad range of different pi-conjugated polymers. In all cases we find that the 1 (3)B(u) is of order 0.6 to 1 eV below the 1 (1)B(u), indicative of localized triplet states with strong electron-electron correlation. We also observe that the 1 (1)A(g)-1 (3)B(u) gap decreases linearly as the 1 (...

Investigations on C-H...pi interactions in RNA binding proteins.

We have investigated the roles played by C-Hcdots, three dots, centeredpi interactions in RNA binding proteins. There was an average of 55 C-Hcdots, three dots, centeredpi interactions per protein and also there was an average of one significant C-Hcdots, three dots, centeredpi interaction for every nine residues in the 59 RNA binding proteins studied. Main-chain to side-chain C-Hcdots, three d...

Groundstate dispersion interaction between pi-conjugated polymers.

The line-dipole approximation is used to investigate the scaling of the groundstate dispersion interaction, EW, between parallel conjugated polymers of length L and transverse separation D. Both a second-order perturbation theory calculation using the Mott-Wannier exciton model of excited states and a semiclassical analysis of distributed dipoles indicate that at L approximately D there is a cr...