Nitrogen donor ligands are ubiquitous in coordination, bioinorganic, and organometallic chemistry. In recent years there have emerged a growing number of invocations of N-donor redox non-innocence (RNI), which has functional implications in reactions such as C–H amination. In cases where redox-active N-donor ligands occur in paramagnetic species, conventional electron paramagnetic resonance can reveal the presence of this RNI. However, some cases of N-donor RNI are “cryptic,” and must be inferred from indirect analytical methods. We have begun to apply nitrogen K-edge X-ray absorption spectroscopy (XAS) to cases of N-localized RNI. This talk will highlight the accuracy of XAS feature assignments facilitated by density functional theory-based methods, as well as show how this method may be used to estimate metal–nitrogen covalency. Extension of this method to metal-iminyl and metal-nitrene complexes will be discussed toward establishing structure-function relationships between the identify of “suboctet” N-donor ligands and their efficacy for C–H functionalization.<br/>

Nitrogen's non-innocence laid bare: Calibration of nitrogen K-edge X-ray absorption spectroscopy and applications to probing the origins of chemical reactivity

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.