論文

1999年

Experimental and theoretical spin density in a ferromagnetic molecular complex

MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS
  • Y Pontillon
  • ,
  • T Akita
  • ,
  • A Grand
  • ,
  • K Kobayashi
  • ,
  • E Lelievre-Berna
  • ,
  • J Pecaut
  • ,
  • E Ressouche
  • ,
  • J Schweizer

334
開始ページ
211
終了ページ
220
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1080/10587259908023319
出版者・発行元
GORDON BREACH PUBLISHING, TAYLOR & FRANCIS GROUP

The association of phenylboronic acid (no unpaired electron) with the free radical phenyl nitronyl nitroxide (S = 1/2) constitutes an inter-heteromolecular hydrogen bonding system presenting ferromagnetic intermolecular interactions. We have investigated its spin density distribution in order to visualize the pathway of these magnetic interactions. The spin density of this complex was measured by polarized neutron diffraction. The data were treated using both direct and indirect methods. As in the isolated PNN, the main part of the spin density is located on the O-N-C-N-O fragment of the PNN radical. But, with the PNNB, the global spin density distribution give evidences that the phenylboronic acid constitutes a spin transmission path between PNN radicals via hydrogen bonds. The experimental results are compared to those obtained by density functional theory calculations.

Web of Science ® 被引用回数 : 2

リンク情報
DOI
https://doi.org/10.1080/10587259908023319
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000083449400024&DestApp=WOS_CPL
URL
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0043228088&origin=inward

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