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

被引：6

作者：

Gilbert, DC

Dikanov, SA

Doetschman, DC ^{[1
]}

Smeija, JA

机构：

[1] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA

[2] Novosibirsk Chem Kinet & Combust Inst, Novosibirsk 630090, Russia

[3] Gonzaga Univ, Dept Chem, Spokane, WA 99258 USA

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 315卷 / 1-2期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(99)01220-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Spin coupling with pyrrole nitrogens and NO geometry in pyridyl-NO-Fe(II) tetraphenyl-N-15(4)-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 degrees from the nearest pyrrole nitrogen). The NO projection in an X-ray study of the di-methyl piperidine complex is 38.6 degrees. The negative pyrrole nitrogen spin densities induced by the NO obey a sinusoidal angular relationship. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：43 / 48

页数：6

共 33 条

[31] Simulations of HYSCORE spectra obtained with ideal and non-ideal pulses [J].