Synthesis and magnetic properties of stable radical derivatives carrying a phenylacetylene unit

Shogo Miyashiro, Tomoaki Ishii, Youhei Miura, Naoki Yoshioka

研究成果: Article査読

4 被引用数 (Scopus)

抄録

A nitronyl nitroxide derivative, 2-phenylethynyl-4,4,5,5-tetramethyl-4,5-dihydro-1Himidazol- 1-oxyl-3-oxide (1), and two verdazyl derivatives carrying a phenylacetylene unit, 1,5-diphenyl-3-phenylethynyl-6-oxo-1,2,4,5-tetrazin-2-yl (2) and 1,5-diisopropyl-3-phenylethynyl- 6-oxo-1,2,4,5-tetrazin-2-yl (3), were synthesized and their packing structures were studied by X-ray crystallographic analysis and magnetically characterized in the solid state. While 1 and 3 had an isolated doublet spin state, 2 formed an antiferromagnetically coupled pair (2J/kB = -118 K). Density functional theory (DFT) calculations reveal that the spin density polarized in the phenyl group decreases as the dihedral angle between the phenyl ring and radical plane increases.

本文言語English
論文番号371
ジャーナルMolecules
23
2
DOI
出版ステータスPublished - 2018

ASJC Scopus subject areas

  • 分析化学
  • 化学(その他)
  • 分子医療
  • 薬科学
  • 創薬
  • 物理化学および理論化学
  • 有機化学

フィンガープリント

「Synthesis and magnetic properties of stable radical derivatives carrying a phenylacetylene unit」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル