Towards understanding π-stacking interactions between non-aromatic rings
نویسندگان
چکیده
منابع مشابه
Theoretical study of the effects of substituent and quadrupole moment on π-π stacking interactions with coronene
Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...
متن کاملAromatic-aromatic interactions: analysis of π-π interactions in interleukins and TNF proteins
Aromatic-aromatic hydrogen bonds are important in many areas of chemistry, biology and materials science. In this study we have analyzed the roles played by the π-π interactions in interleukins (ILs) and tumor necrosis factor (TNF) proteins. Majority of π-π interacting residues are conserved in ILs and TNF proteins. The accessible surface area calculations in these proteins reveal that these in...
متن کاملSubstituent effects on aromatic stacking interactions.
Synthetic supramolecular zipper complexes have been used to quantify substituent effects on the free energies of aromatic stacking interactions. The conformational properties of the complexes have been characterised using NMR spectroscopy in CDCl(3), and by comparison with the solid state structures of model compounds. The structural similarity of the complexes makes it possible to apply the do...
متن کاملπ-Stacking between Casiopeinas® and DNA bases.
Casiopeínas® are copper complexes with the general formula [Cu(N-N)(N-O)]NO(3) and [Cu(N-N)(O-O)]NO(3) where N-N denotes a substituted bipyridine or phenanthroline, N-O indicates α-aminoacidate or peptide and O-O represents acetylacetonate or salicylaldehyde. This family of compounds has been evaluated in vitro and in vivo showing cytotoxic, genotoxic, and antineoplastic activity. The action me...
متن کاملInterparticle Charge Transfer Mediated by π-π Stacking of Aromatic Moieties
Lately intense research interests have been focused on the electronic conductivity properties of transition-metal nanoparticles (e.g., Au, Pd, and Ag) that are passivated by an organic monolayer (i.e., the so-called monolayer-protected nanoparticles).1 With such a core-shell composite nanostructure, the resulting conductivity can be tailored by the combined effects of the conductive inorganic c...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: IUCrJ
سال: 2019
ISSN: 2052-2525
DOI: 10.1107/s2052252519000186