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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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