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 language | English |
|---|---|
| Pages (from-to) | 9949-9955 |
| Number of pages | 7 |
| Journal | New Journal of Chemistry |
| Volume | 42 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - 2018 Jan 1 |
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ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
- Materials Chemistry
Cite this
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. / Takahashi, Yusuke; Tsuchiya, Naoya; Miura, Youhei; Yoshioka, Naoki.
In: New Journal of Chemistry, Vol. 42, No. 12, 01.01.2018, p. 9949-9955.Research output: Contribution to journal › Article
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TY - JOUR
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.
UR - http://www.scopus.com/inward/record.url?scp=85048402517&partnerID=8YFLogxK
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U2 - 10.1039/c7nj04534d
DO - 10.1039/c7nj04534d
M3 - Article
AN - SCOPUS:85048402517
VL - 42
SP - 9949
EP - 9955
JO - New Journal of Chemistry
JF - New Journal of Chemistry
SN - 1144-0546
IS - 12
ER -