π-Stacked structure of thiadiazolo-fused benzotriazinyl radical: Crystal structure and magnetic properties

研究成果: Article査読

15 被引用数 (Scopus)

抄録

A novel benzotriazinyl radical with a 2,1,3-thiadiazolo fused ring (1,3-diphenyl-1,2-dihydro-[1,2,5]thiadiazolo[3′,4′:3,4]benzo[1,2-e]-1,2,4-triazine-2-yl; NSNBT) was prepared and characterized by ESR measurement, cyclic voltammetry, and X-ray crystallographic analysis. By a detailed study of bond lengths and angles, it was found that the molecular structure of NSNBT borrows characteristics both from 2,1,3-benzothiadiazole and from the unsubstituted benzotriazinyl radical, and the central phenyl ring presents a phenanthrene-type bond alternation. Molecules were shown to be arranged in a π-stacked columnar structure, with columns connected to each other through sulfur-sulfur interactions in the crystal. It exhibited strong antiferromagnetic interactions (J/kB = -434 K) derived from its dimer structure.

本文言語English
ページ(範囲)11-14
ページ数4
ジャーナルChemical Physics Letters
626
DOI
出版ステータスPublished - 2015 4 17

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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