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
N1 - Funding Information:
This work was partly supported by the MEXT Supported Program for the Strategic Research Foundation at Private Universities, 2012–2016. The authors thank Dr K. Yoza (Bruker AXS K. K.) for the discussion about crystallographic analysis. Y. T. thanks JSPS Grant-in-Aid for the JSPS Research Fellowship 16J05998.
Publisher Copyright:
© 2018 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.
PY - 2018
Y1 - 2018
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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U2 - 10.1039/c7nj04534d
DO - 10.1039/c7nj04534d
M3 - Article
AN - SCOPUS:85048402517
SN - 1144-0546
VL - 42
SP - 9949
EP - 9955
JO - New Journal of Chemistry
JF - New Journal of Chemistry
IS - 12
ER -