Magneto-structural correlation of cyano-substituted 3-: Tert -butyl-1-phenyl-1,2,4-benzotriazin-4-yl: Spin transition behaviour observed in a 6-cyano derivative

Yusuke Takahashi, Naoya Tsuchiya, Youhei Miura, Naoki Yoshioka

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2 Citations (Scopus)

Abstract

New cyano-substituted 3-tert-butylbenzotriazinyls, 7CN and 6CN, were synthesized and their spectroscopic properties and magneto-structural correlation were investigated. The radical 7CN formed a 1D columnar structure and displayed an antiferromagnetic interaction along the column (J = -15.8 cm-1). The 6-cyano substituted radical 6CN also formed a 1D columnar structure and exhibited a reversible spin transition at ca. 284 K in the range of 6 K. The molecular arrangements in the high-temperature phase (300 K) and low-temperature phase (263 K) were evaluated by X-ray crystallographic analysis and the molecules slightly rotated while remaining in the 1D columnar structure, resulting in a phase transition. The spin transition behaviour was caused by the structural phase transition, which was consistent with the DSC and computational studies.

Original languageEnglish
Pages (from-to)9949-9955
Number of pages7
JournalNew Journal of Chemistry
Volume42
Issue number12
DOIs
Publication statusPublished - 2018 Jan 1

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Phase transitions
Derivatives
X rays
Temperature
Molecules

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Materials Chemistry

Cite this

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title = "Magneto-structural correlation of cyano-substituted 3-: Tert -butyl-1-phenyl-1,2,4-benzotriazin-4-yl: Spin transition behaviour observed in a 6-cyano derivative",
abstract = "New cyano-substituted 3-tert-butylbenzotriazinyls, 7CN and 6CN, were synthesized and their spectroscopic properties and magneto-structural correlation were investigated. The radical 7CN formed a 1D columnar structure and displayed an antiferromagnetic interaction along the column (J = -15.8 cm-1). The 6-cyano substituted radical 6CN also formed a 1D columnar structure and exhibited a reversible spin transition at ca. 284 K in the range of 6 K. The molecular arrangements in the high-temperature phase (300 K) and low-temperature phase (263 K) were evaluated by X-ray crystallographic analysis and the molecules slightly rotated while remaining in the 1D columnar structure, resulting in a phase transition. The spin transition behaviour was caused by the structural phase transition, which was consistent with the DSC and computational studies.",
author = "Yusuke Takahashi and Naoya Tsuchiya and Youhei Miura and Naoki Yoshioka",
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T1 - Magneto-structural correlation of cyano-substituted 3-

T2 - Tert -butyl-1-phenyl-1,2,4-benzotriazin-4-yl: Spin transition behaviour observed in a 6-cyano derivative

AU - Takahashi, Yusuke

AU - Tsuchiya, Naoya

AU - Miura, Youhei

AU - Yoshioka, Naoki

PY - 2018/1/1

Y1 - 2018/1/1

N2 - New cyano-substituted 3-tert-butylbenzotriazinyls, 7CN and 6CN, were synthesized and their spectroscopic properties and magneto-structural correlation were investigated. The radical 7CN formed a 1D columnar structure and displayed an antiferromagnetic interaction along the column (J = -15.8 cm-1). The 6-cyano substituted radical 6CN also formed a 1D columnar structure and exhibited a reversible spin transition at ca. 284 K in the range of 6 K. The molecular arrangements in the high-temperature phase (300 K) and low-temperature phase (263 K) were evaluated by X-ray crystallographic analysis and the molecules slightly rotated while remaining in the 1D columnar structure, resulting in a phase transition. The spin transition behaviour was caused by the structural phase transition, which was consistent with the DSC and computational studies.

AB - New cyano-substituted 3-tert-butylbenzotriazinyls, 7CN and 6CN, were synthesized and their spectroscopic properties and magneto-structural correlation were investigated. The radical 7CN formed a 1D columnar structure and displayed an antiferromagnetic interaction along the column (J = -15.8 cm-1). The 6-cyano substituted radical 6CN also formed a 1D columnar structure and exhibited a reversible spin transition at ca. 284 K in the range of 6 K. The molecular arrangements in the high-temperature phase (300 K) and low-temperature phase (263 K) were evaluated by X-ray crystallographic analysis and the molecules slightly rotated while remaining in the 1D columnar structure, resulting in a phase transition. The spin transition behaviour was caused by the structural phase transition, which was consistent with the DSC and computational studies.

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