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Magnetic-properties of 1,4-dihydro-1,2,4-benzotriazin -4-yl radicals

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Krieger,  Claus
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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Neugebauer,  Franz A.
Department of Organic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Mukai, K., Inoue, K., Achiwa, N., Jamali, J. B., Krieger, C., & Neugebauer, F. A. (1994). Magnetic-properties of 1,4-dihydro-1,2,4-benzotriazin -4-yl radicals. Chemical Physics Letters, 224(6), 569-575. doi:10.1016/0009-2614(94)00586-9.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-A8EA-F
Abstract
Magnetic susceptibilities of 1,4-dihydro-1,3-diphenyl-1,2,4-benzotriazin-4-yl (DDB 1), 3-tert-butyl-1,4-dihydro-1-phenyl-1,2,4- benzotriazin-4-yl (BDPB 2) and 1-(4-chlorophenyl)-1,4-dihydro-3-phenyl-1,2,4-benzotriazin-4-yl (CDPB 3) radicals have been measured in the temperature range of 4.2-300 K. The susceptibility of DDB 1 and BDPB 2 follows the Curie-Weiss law with a negative Weiss constant of −2.2 and −0.3 K, respectively. The magnetic susceptibility of CDPB 3, on the other hand, exhibits a broad maximum at 138 K. This susceptibility can be interpreted in terms of an alternating antiferromagnetic Heisenberg linear chain model with an exchange interaction of 2J1/k=−220 K and an alternation parameter of α=J2/J1=0.3. The results of the X-ray structure analysis of CDPB 3 support the above explanation.