DOI: 10.1021/ja801860u. Electronic Structure of Six-Coordinate Iron(III)−Porphyrin NO Adducts: The Elusive Iron(III)−NO(radical) State and Its Influence on the Properties of These Complexes

Electronic Structure of Six-Coordinate Iron(III)−Porphyrin NO Adducts: The Elusive Iron(III)−NO(radical) State and Its Influence on the Properties of These Complexes

10.1021/ja801860u

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Praneeth, V. K. K., Paulat, F., Berto, T. C., George, S. D., NÃ¤ther, C., Sulok, C. D., & Lehnert, N. (2008). Electronic Structure of Six-Coordinate Iron(III)âPorphyrin NO Adducts: The Elusive Iron(III)âNO(radical) State and Its Influence on the Properties of These Complexes. Journal of the American Chemical Society, 130(46), 15288â15303.

Authors 7

V. K. K. Praneeth (first)
Florian Paulat (additional)
Timothy C. Berto (additional)
Serena DeBeer George (additional)
Christian Näther (additional)
Corinne D. Sulok (additional)
Nicolai Lehnert (additional)

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This assumes that mode mixing of the Fe−NO stretch and of the linear Fe−N−O bends with porphyrin modes is reasonably small, which should in general be a good approximation for vibrations occurring in the 500−650 cm−1range. Some mode mixing is of course observed, so small variations in the relative VDOS intensity of the stretch versus the bends are possible (see text).
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Dates

Type	When
Created	16 years, 10 months ago (Oct. 23, 2008, 5:08 a.m.)
Deposited	7 months ago (Feb. 2, 2025, 12:49 a.m.)
Indexed	1 month, 3 weeks ago (July 14, 2025, 11:36 p.m.)
Issued	16 years, 10 months ago (Oct. 23, 2008)
Published	16 years, 10 months ago (Oct. 23, 2008)
Published Online	16 years, 10 months ago (Oct. 23, 2008)
Published Print	16 years, 9 months ago (Nov. 19, 2008)

Funders 0

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BibTeX

@article{Praneeth_2008, title={Electronic Structure of Six-Coordinate Iron(III)−Porphyrin NO Adducts: The Elusive Iron(III)−NO(radical) State and Its Influence on the Properties of These Complexes}, volume={130}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja801860u}, DOI={10.1021/ja801860u}, number={46}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Praneeth, V. K. K. and Paulat, Florian and Berto, Timothy C. and George, Serena DeBeer and Näther, Christian and Sulok, Corinne D. and Lehnert, Nicolai}, year={2008}, month=oct, pages={15288–15303} }

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