Quantification and analysis of intramolecular interactions
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The trinuclear arene-ruthenium cluster cation, Ru3H3(O)(C10H14)2(C14H16O4), has been synthesized and crystallized as the tetrafluoroborate (BF4-) salt. The cations form, along the b axis, infinite one-dimensional chains through pi-stacking interaction ...
This thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...
Electrophilically induced cyclic acetal formation of the O-benzyl dipeptide esters Fmoc-NMeIle-Thr-OBn (1) and of Fmoc-Pro-Thr-OBn (6) has been observed to lead predominantly to the (R) diastereomers 2b and 8b at the 2-C position of the resulting substitut ...
π−π interactions in heteroaromatic systems are ubiquitous in biological systems. In the present study, stabilization energies of stacked and hydrogen-bonded dimers of N-heteroaromatic systems (pyridine, pyrazine, sym-triazine, and sym-tetrazine) have been ...
Energies of alkanes computed with many popular and even newer density functionals are flawed by systematic errors, which become considerable with larger molecules. The same energies, however, are well described by post-Hartree-Fock methods. Similar DFT sho ...
Taking a a turn. Short tripeptides that form stable ß turns in water are remarkably stable against chemical and thermal degradation. Terminal cation-π interactions lead to stabilization of these turns that are formed independently of sequence. ...
The reactivity of (E)- and (Z)-1-fluorobuta-1,3-diene ((E)- and (Z)-11), 2-fluorobutadiene (12). (E)and (Z)-1-(fluoromethylidene)-2-methylidenecyclohexane ((E)- and (Z)-13) toward SO2 has been explored and compared with that of (Z)- and (E)-1-(fluoromethyl ...
A series of trans-platinum(IV) complexes with functionalized aromatic carboxylate ligands, cis,cis,trans-Pt(NH3)2Cl2(CO2C6H4R)2 (R = H (3), p-vinyl (4), p-methoxy (5), p-iodo (6), ...
When treated with anisaldehyde dimethylacetal the O-benzyl ester protected dipeptide Fmoc-NMeIle-Thr-OBzl (2, cf. Scheme 3), cyclizes to the 2-C(S) epimer 3b assigned by NMR spectroscopy to chirality (R) at the 2-C position of the resulting substituted 1,3 ...
Humic substances (HS) play an important role in the reactivity and transport of colloids in natural environments. In particular, the presence of fulvic acids (FA) in natural waters modifies the interactions between inorg. particles and biopolymers and make ...
