A study of pyridyl nitrosyl iron(II) tetraphenyl 15N4 -porphyrin. NO geometry and spin coupling to the pyrrole nitrogens

D. C. Gilbert; S. A. Dikanov; D. C. Doetschman; J. A. Smeija

doi:10.1016/S0009-2614(99)01220-8

A study of pyridyl nitrosyl iron(II) tetraphenyl ¹⁵N₄ -porphyrin. NO geometry and spin coupling to the pyrrole nitrogens

D. C. Gilbert, S. A. Dikanov, D. C. Doetschman, J. A. Smeija

Research output: Contribution to journal › Article › peer-review

Abstract

Spin coupling with pyrrole nitrogens and NO geometry in pyridyl-NO-Fe(II) tetraphenyl-¹⁵N₄-porphyrin, examined with hyperfine sublevel correlation spectroscopy (HYSCORE), was studied because of renewed interest in diatomic molecule bound ferrous hemes, e.g. the physiologically important NO synthase. Dipolar coupling locates the effective electron spin position (0.109±0.008 nm from the ring center, 0.106±0.006 nm above the ring plane and projecting 37±2° from the nearest pyrrole nitrogen). The NO projection in an X-ray study of the 4-methyl piperidine complex is 38.6°. The negative pyrrole nitrogen spin densities induced by the NO obey a sinusoidal angular relationship.

Original language	English (US)
Pages (from-to)	43-48
Number of pages	6
Journal	Chemical Physics Letters
Volume	315
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(99)01220-8
State	Published - Dec 17 1999
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(99)01220-8

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@article{0bb6a2d74af04fd9ae737b3b415f6f5c,

title = "A study of pyridyl nitrosyl iron(II) tetraphenyl 15N4 -porphyrin. NO geometry and spin coupling to the pyrrole nitrogens",

abstract = "Spin coupling with pyrrole nitrogens and NO geometry in pyridyl-NO-Fe(II) tetraphenyl-15N4-porphyrin, examined with hyperfine sublevel correlation spectroscopy (HYSCORE), was studied because of renewed interest in diatomic molecule bound ferrous hemes, e.g. the physiologically important NO synthase. Dipolar coupling locates the effective electron spin position (0.109±0.008 nm from the ring center, 0.106±0.006 nm above the ring plane and projecting 37±2° from the nearest pyrrole nitrogen). The NO projection in an X-ray study of the 4-methyl piperidine complex is 38.6°. The negative pyrrole nitrogen spin densities induced by the NO obey a sinusoidal angular relationship.",

author = "Gilbert, {D. C.} and Dikanov, {S. A.} and Doetschman, {D. C.} and Smeija, {J. A.}",

note = "Funding Information: We are grateful for the support of the Chemistry Program of the National Science Foundation under grant no. CHE9512274. Summer research fellowships for D.C.G. from the Department of Chemistry, Binghamton University, and a K. Keith Innes summer research fellowship are gratefully acknowledged. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.",

year = "1999",

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doi = "10.1016/S0009-2614(99)01220-8",

language = "English (US)",

volume = "315",

pages = "43--48",

journal = "Chemical Physics Letters",

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T1 - A study of pyridyl nitrosyl iron(II) tetraphenyl 15N4 -porphyrin. NO geometry and spin coupling to the pyrrole nitrogens

AU - Gilbert, D. C.

AU - Dikanov, S. A.

AU - Doetschman, D. C.

AU - Smeija, J. A.

N1 - Funding Information: We are grateful for the support of the Chemistry Program of the National Science Foundation under grant no. CHE9512274. Summer research fellowships for D.C.G. from the Department of Chemistry, Binghamton University, and a K. Keith Innes summer research fellowship are gratefully acknowledged. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.

PY - 1999/12/17

Y1 - 1999/12/17

N2 - Spin coupling with pyrrole nitrogens and NO geometry in pyridyl-NO-Fe(II) tetraphenyl-15N4-porphyrin, examined with hyperfine sublevel correlation spectroscopy (HYSCORE), was studied because of renewed interest in diatomic molecule bound ferrous hemes, e.g. the physiologically important NO synthase. Dipolar coupling locates the effective electron spin position (0.109±0.008 nm from the ring center, 0.106±0.006 nm above the ring plane and projecting 37±2° from the nearest pyrrole nitrogen). The NO projection in an X-ray study of the 4-methyl piperidine complex is 38.6°. The negative pyrrole nitrogen spin densities induced by the NO obey a sinusoidal angular relationship.

AB - Spin coupling with pyrrole nitrogens and NO geometry in pyridyl-NO-Fe(II) tetraphenyl-15N4-porphyrin, examined with hyperfine sublevel correlation spectroscopy (HYSCORE), was studied because of renewed interest in diatomic molecule bound ferrous hemes, e.g. the physiologically important NO synthase. Dipolar coupling locates the effective electron spin position (0.109±0.008 nm from the ring center, 0.106±0.006 nm above the ring plane and projecting 37±2° from the nearest pyrrole nitrogen). The NO projection in an X-ray study of the 4-methyl piperidine complex is 38.6°. The negative pyrrole nitrogen spin densities induced by the NO obey a sinusoidal angular relationship.

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