Principles and Prospects of Spin-States Reactivity in Chemistry and Bioinorganic Chemistry

Dandamudi Usharani, Binju Wang, Dina A. Sharon, Sason Shaik*

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

17 Scopus citations

Abstract

Organometallic and bioinorganic chemical reactions involve transition metal complexes, which often possess several unpaired electrons on the metal center, giving rise to closely lying spin states, which may participate in reactivity. This chapter focuses on describing these concepts, and on showing that unpaired electrons and multi-state situations have a profound impact on chemical reactivity. It first provides suggestions for experimental probes of spin-state selectivity, and two-state reactivity (TSR) and multi-state reactivity (MSR) prospects. Next, the chapter presents theoretical exchange-enhanced reactivity (EER) concept that explains the underpinnings of spin selective reactivity. It introduces exchange interactions and their impact on H-abstraction, then applies the EER rule to the quintet and triplet states of FeIVO species to explain the origin of spin selective reactivity, and demonstrates its implications and manifestations of the concept in a variety of systems. Finally, the chapter discusses the various ways to probe spin-state effects by theory and experiment.

Original languageEnglish
Title of host publicationSpin States in Biochemistry and Inorganic Chemistry
Subtitle of host publicationInfluence on Structure and Reactivity
PublisherWiley-Blackwell
Pages131-156
Number of pages26
ISBN (Electronic)9781118898277
ISBN (Print)9781118898314
DOIs
StatePublished - 24 Nov 2015

Bibliographical note

Publisher Copyright:
© 2016 John Wiley & Sons, Ltd. All rights reserved.

Keywords

  • Bioinorganic chemistry
  • Exchange-enhanced reactivity
  • Multi-state reactivity
  • Spin-states reactivity
  • Transition metal complexes
  • Two-state reactivity

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