The Experimental Spin Density of Two Nitrophenyl Nitroxides: A Nitronyl Nitroxide and an Imino Nitroxide
作者:
M. Bonnet,
D. Luneau,
E. Ressouche,
P. Rey,
J. Schweizer,
M. Wan,
H. Wang,
A. Zheludev,
期刊:
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
(Taylor Available online 1995)
卷期:
Volume 271,
issue 1
页码: 35-53
ISSN:1058-725X
年代: 1995
DOI:10.1080/10587259508034037
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
We have determined, by polarized neutron diffraction, the spin density of two nitrophenyl nitroxides: the para-nitrophenyl nitronyl nitroxide (p-NPNN), which is a ferromagnet at low temperature, and the meta-nitrophenyl imino nitroxide (m-NPIN), which exhibits antiferromagnetic coupling. Several methods were used to reconstruct the spin density distribution, including the maximum entropy method. Our data provide the basis for a better knowledge of the electronic configuration. The nodes of the SOMO are directly observed and the spin polarization effects which give rise to a negative spin density on several atomic sites is discussed.
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