Journal article
Reaction of an Iron(IV) Nitrido Complex with Cyclohexadienes: Cycloaddition and Hydrogen-Atom Abstraction
Inorganic chemistry, v 53(16), pp 8425-8430
18 Aug 2014
PMID: 25068927
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Abstract
The iron(IV) nitrido complex PhB(MesIm)(3)Fe N reacts with 1,3-cyclohexadiene to yield the iron(II) pyrrolide complex PhB-(MesIm)(3)Fe(eta(5)-C4H4N) in high yield. The mechanism of product formation is proposed to involve sequential [4 + 1] cycloaddition and retro Diels-Alder reactions. Surprisingly, reaction with 1,4-cyclohexadiene yields the same iron-containing product, albeit in substantially lower yield. The proposed reaction mechanism, supported by electronic structure calculations, involves hydrogen-atom abstraction from 1,4-cydohexadiene to provide the cyclohexadienyl radical. This radical is an intermediate in substrate isomerization to 1,3-cyclohexadiene, leading to formation of the pyrrolide product.
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Details
- Title
- Reaction of an Iron(IV) Nitrido Complex with Cyclohexadienes: Cycloaddition and Hydrogen-Atom Abstraction
- Creators
- Wei-Tsung Lee - Indiana University BloomingtonRuth A. Juarez - New Mexico State UniversityJeremiah J. Scepaniak - New Mexico State UniversitySalvador B. Munoz - Indiana University BloomingtonDiane A. Dickie - University of New MexicoHaobin Wang - New Mexico State UniversityJeremy M. Smith - Indiana University Bloomington
- Publication Details
- Inorganic chemistry, v 53(16), pp 8425-8430
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 6
- Grant note
- DE-FG02-08ER15996 / Indiana University, the Department of Energy-Basic Energy Sciences HRD 0929343 / NSF-AMP; National Science Foundation (NSF) R25GM061222 / NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES; United States Department of Health & Human Services; National Institutes of Health (NIH) - USA; NIH National Institute of General Medical Sciences (NIGMS) R25 GM061222-11 / NIH-RISE; United States Department of Health & Human Services; National Institutes of Health (NIH) - USA DE-AC02-05CH11231 / Office of Science of the U.S. Department of Energy; United States Department of Energy (DOE) CHE-1012479 / NSF; National Science Foundation (NSF) CHE-0443580 / NSF CRIF:MU; National Science Foundation (NSF); NSF - Directorate for Mathematical & Physical Sciences (MPS) Camille and Henry Dreyfus Foundation
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000340576900027
- Scopus ID
- 2-s2.0-84906270495
- Other Identifier
- 991020902865604721
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- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Inorganic & Nuclear