論文

2002年

Theoretical study on the exchange interaction between metal ion and organic radical through pyridine, bipyridine and terpyridine ligands

MOLECULAR CRYSTALS AND LIQUID CRYSTALS
  • JP Zhang
  • ,
  • M Suehiro
  • ,
  • A Sakane
  • ,
  • S Karasawa
  • ,
  • T Akita
  • ,
  • N Koga

376
開始ページ
431
終了ページ
436
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1080/10587250210747
出版者・発行元
TAYLOR & FRANCIS LTD

Ab initio total energy calculations with the DFT framework based on the geometries obtained by X-ray data were carried out for five complexes composed by copper(II) ion and organic radicals (eg. aminoxyl and carbene) through pyridine, bipyridine and terpyridine rings. It was found that the copper(II) complex having radical substituted at 4-position of aromatic ligand favors ferromagnetic coupling between organic radical and paramagnetic copper(II) ion.

Web of Science ® 被引用回数 : 1

リンク情報
DOI
https://doi.org/10.1080/10587250210747
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000176253600069&DestApp=WOS_CPL
URL
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0013054549&origin=inward

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