Abstract
AbstractThe thioether‐group‐containing SNS‐type pincer complex [({EtSCH2CH2}2NH)RuCl(H)(PPh3)] (2) exists in three different diastereomers (2 a–c). The molecular structures obtained from single crystal X‐Ray diffraction studies of all three isomers reveal a difference in the relative orientation of the respective EtS‐groups, while other commonly observed diastereomers as the result of cis‐/trans‐ or fac‐/mer‐isomerism are not observed. Chemical exchange between the three diastereomers 2 a–c was discovered by phase‐sensitive 1H and 31P NOESY NMR spectroscopy, and further quantified by line shape analysis of 1H NMR spectra. The experimentally derived averaged Gibbs energies of activation for the interconversion of the isomers (65–70 kJ/mol) are in good agreement with the results obtained from DFT calculations, which suggest an inversion of the ligating sulfur atoms, although a dissociative pathway for the configurational inversion can be competitive.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
