1. A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl
- Author
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Constantinides, Christos P., Berezin, Andrey A., Zissimou, Georgia A., Manoli, Maria, Leitus, G. M., Bendikov, M., Probert, M. R., Rawson, J. M., Koutentis, Panayiotis Andreas, Constantinides, Christos P. [0000-0001-6364-1102], and Zissimou, Georgia A. [0000-0003-4821-9469]
- Subjects
Low temperature phase ,cooling ,Spin transition ,cyclic potentiometry ,heating ,triazine derivative ,1 phenyl 3 tri fluoromethyl 1,4 dihydrobenzo[e][1,2,4]triazin 4 yl ,low temperature ,Biochemistry ,Catalysis ,high temperature ,Paramagnetism ,chemistry.chemical_compound ,Singlet ground state ,magnetometry ,First order transitions ,Colloid and Surface Chemistry ,Phase (matter) ,controlled study ,Noninteracting ,Weakly bound dimers ,density functional theory ,radical ,dimerization ,Structural phasis ,Trifluoromethyl ,Spins ,Condensed matter physics ,chemical interaction ,Chemistry ,article ,solid state ,General Chemistry ,dimer ,unclassified drug ,Crystallography ,phase transition ,High temperature phase ,Synthesis (chemical) ,magnetism ,chemical structure ,Diamagnetism ,entropy - Abstract
1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl is the first example of a hydrazyl radical that shows a reversible sharp spin transition fully completed within 5(1) K. The nominally first-order transition takes place at ca. 58(2) K and proceeds via subtle changes of intra- and interstack interactions between two similar structural phases. The low-temperature phase (5-60 K) is diamagnetic and has a singlet ground state (2Jexp = -166.8 cm-1, gsolid = 2.0042, ρ = 0.2%) stemming from a multicenter two-electron interaction. The high-temperature phase (60-300 K) is paramagnetic as a result of noninteracting S = 1/2 spins arising from weakly bound dimers. © 2014 American Chemical Society. 136 34 11906 11909 Cited By :18
- Published
- 2014
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