Dr. Kirill Nikitin, Dr. Helge Müller-Bunz and Dr. Jimmy Muldoon Evaluation of Weak Interactions in Pseudorotaxanes ChemPhysChem 15
Welcome as a flat-pack: Why are sterically hindered viologens relatively poor guests? Density functional theory calculations show that the energy cost of flattening, 55 kJ mol−1, required for the formation of pseudoroatxanes with p-phenylene crown ether is too high. The thermodynamic parameters of elusive sterically hindered pseudorotaxanes are obtained by using quantitative nuclear Overhauser effect correlations in solution.
Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf