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

Naoki Matsuoka, Naoki Yoshioka

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)65-68
Number of pages4
JournalChemical Physics Letters
Volume523
DOIs
Publication statusPublished - 2012 Jan 27

ASJC Scopus subject areas

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

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