Molecular Fingerprints
Our recent research article entitled "Orbital Analysis of Carbon-13 Chemical Shift Tensors Reveals Patterns to Distinguish Fischer and Schrock Carbenes" published in Angew. Chem. Int. Ed. gives insights into the origin of the highly deshielded carbon chemical shift of Fischer and Schrock carbene complexes. In this study, the chemical shift anisotropy of various carbene complexes was determined by solid-state NMR and deconstructed by DFT calculations and natural chemical shift (NCS) analysis. Overall, analysis of the chemical shift tensors revealed fingerprints of the various carbenes, allowing to distinguish Fischer carbenes and Schrock alkylidenes, and relating the chemical shift to reactivity (electrophilic vs. nucleophilic).
Access our papers for more information:
external pageAngew. Chem. Int. Ed.,DOI:10.1002/anie.201701537.
external pageJ. Am. Chem. Soc.,2016,138(7), pp 2261–2272.
We thus made passports for each carbene complexes. Enjoy!
