dc.contributor.author | Constantinides, Christos P. | en |
dc.contributor.author | Berezin, Andrey A. | en |
dc.contributor.author | Zissimou, Georgia A. | en |
dc.contributor.author | Manoli, Maria | en |
dc.contributor.author | Leitus, G. M. | en |
dc.contributor.author | Bendikov, M. | en |
dc.contributor.author | Probert, M. R. | en |
dc.contributor.author | Rawson, J. M. | en |
dc.contributor.author | Koutentis, Panayiotis Andreas | en |
dc.creator | Constantinides, Christos P. | en |
dc.creator | Berezin, Andrey A. | en |
dc.creator | Zissimou, Georgia A. | en |
dc.creator | Manoli, Maria | en |
dc.creator | Leitus, G. M. | en |
dc.creator | Bendikov, M. | en |
dc.creator | Probert, M. R. | en |
dc.creator | Rawson, J. M. | en |
dc.creator | Koutentis, Panayiotis Andreas | en |
dc.date.accessioned | 2019-11-21T06:17:49Z | |
dc.date.available | 2019-11-21T06:17:49Z | |
dc.date.issued | 2014 | |
dc.identifier.uri | http://gnosis.library.ucy.ac.cy/handle/7/55356 | |
dc.description.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. | en |
dc.source | Journal of the American Chemical Society | en |
dc.source.uri | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84906751076&doi=10.1021%2fja5063746&partnerID=40&md5=cd03931f3e125a06a88c2b8b3fcf99a6 | |
dc.subject | article | en |
dc.subject | controlled study | en |
dc.subject | unclassified drug | en |
dc.subject | dimerization | en |
dc.subject | Synthesis (chemical) | en |
dc.subject | entropy | en |
dc.subject | low temperature | en |
dc.subject | magnetism | en |
dc.subject | cooling | en |
dc.subject | chemical structure | en |
dc.subject | density functional theory | en |
dc.subject | heating | en |
dc.subject | phase transition | en |
dc.subject | solid state | en |
dc.subject | magnetometry | en |
dc.subject | Chemistry | en |
dc.subject | radical | en |
dc.subject | cyclic potentiometry | en |
dc.subject | 1 phenyl 3 tri fluoromethyl 1,4 dihydrobenzo[e][1,2,4]triazin 4 yl | en |
dc.subject | chemical interaction | en |
dc.subject | dimer | en |
dc.subject | First order transitions | en |
dc.subject | high temperature | en |
dc.subject | High temperature phase | en |
dc.subject | Low temperature phase | en |
dc.subject | Noninteracting | en |
dc.subject | Singlet ground state | en |
dc.subject | Spin transition | en |
dc.subject | Structural phasis | en |
dc.subject | triazine derivative | en |
dc.subject | Weakly bound dimers | en |
dc.title | A magnetostructural investigation of an abrupt spin transition for 1-phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl | en |
dc.type | info:eu-repo/semantics/article | |
dc.identifier.doi | 10.1021/ja5063746 | |
dc.description.volume | 136 | |
dc.description.issue | 34 | |
dc.description.startingpage | 11906 | |
dc.description.endingpage | 11909 | |
dc.author.faculty | 002 Σχολή Θετικών και Εφαρμοσμένων Επιστημών / Faculty of Pure and Applied Sciences | |
dc.author.department | Τμήμα Χημείας / Department of Chemistry | |
dc.type.uhtype | Article | en |
dc.description.notes | <p>Cited By :18</p> | en |
dc.source.abbreviation | J.Am.Chem.Soc. | en |
dc.contributor.orcid | Constantinides, Christos P. [0000-0001-6364-1102] | |
dc.contributor.orcid | Zissimou, Georgia A. [0000-0003-4821-9469] | |
dc.gnosis.orcid | 0000-0001-6364-1102 | |
dc.gnosis.orcid | 0000-0003-4821-9469 | |