Theoretical study of intermolecular magnetic interaction of chromium(V)-nitrido complex self-assembly with tetradentate Schiff base ligand

Naoki Matsuoka, Naoki Yoshioka

研究成果: Article

2 被引用数 (Scopus)

抄録

A theoretical study of the intermolecular magnetic interaction of [CrN(salpn)] is discussed based on DFT calculations. The close contact between the 2p orbitals on the axial nitrogen and other 3d orbitals besides the 3d xy orbital on the adjacent chromium is effective for ferromagnetic coupling. The magnetic interaction is rationally explained by the significantly large spin polarization of the axial nitrogen.

本文言語English
ページ(範囲)65-68
ページ数4
ジャーナルChemical Physics Letters
523
DOI
出版ステータスPublished - 2012 1 27

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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