000058421 001__ 58421
000058421 005__ 20210121114544.0
000058421 0247_ $$2doi$$a10.1016/j.jmr.2015.03.010
000058421 0248_ $$2sideral$$a90287
000058421 037__ $$aART-2015-90287
000058421 041__ $$aeng
000058421 100__ $$0(orcid)0000-0003-3449-4929$$aAlonso, P.J.$$uUniversidad de Zaragoza
000058421 245__ $$aMagnetic properties of a Kramers doublet. An univocal bridge between experimental results and theoretical predictions
000058421 260__ $$c2015
000058421 5060_ $$aAccess copy available to the general public$$fUnrestricted
000058421 5203_ $$aThe magnetic response of a Kramers doublet is analysed in a general case taking into account only the formal properties derived from time reversal operation. It leads to a definition of a matrix G (gyromagnetic matrix) whose expression depends on the chosen reference frame and on the Kramers conjugate basis used to describe the physical system. It is shown that there exists a reference frame and a suitable Kramers conjugate basis that gives a diagonal form for the G-matrix with all non-null elements having the same sign. A detailed procedure for obtaining this canonical expression of G is presented when the electronic structure of the KD is known regardless the level of the used theory. This procedure provides a univocal way to compare the theoretical predictions with the experimental results obtained from a complete set of magnetic experiments. In this way the problems arising from ambiguities in the g-tensor definition are overcome. This procedure is extended to find a spin- Hamiltonian suitable for describing the magnetic behaviour of a pair of weakly coupled Kramers systems in the multispin scheme when the interaction between the two moieties as well as the individual Zeeman interaction are small enough as compared with ligand field splitting. Explicit relations between the physical interaction and the parameters of such a spin- Hamiltonian are also obtained.
000058421 536__ $$9info:eu-repo/grantAgreement/ES/DGA/B18$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2011-23861
000058421 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
000058421 590__ $$a2.889$$b2015
000058421 591__ $$aBIOCHEMICAL RESEARCH METHODS$$b29 / 77 = 0.377$$c2015$$dQ2$$eT2
000058421 591__ $$aSPECTROSCOPY$$b11 / 43 = 0.256$$c2015$$dQ2$$eT1
000058421 591__ $$aPHYSICS, ATOMIC, MOLECULAR & CHEMICAL$$b10 / 35 = 0.286$$c2015$$dQ2$$eT1
000058421 592__ $$a1.111$$b2015
000058421 593__ $$aBiophysics$$c2015$$dQ1
000058421 593__ $$aCondensed Matter Physics$$c2015$$dQ1
000058421 593__ $$aNuclear and High Energy Physics$$c2015$$dQ2
000058421 593__ $$aBiochemistry$$c2015$$dQ2
000058421 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000058421 700__ $$0(orcid)0000-0002-5406-3280$$aMartínez, J.I.$$uUniversidad de Zaragoza
000058421 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000058421 773__ $$g255 (2015), 1-14$$pJ. magn. reson.$$tJOURNAL OF MAGNETIC RESONANCE$$x1090-7807
000058421 8564_ $$s625182$$uhttps://zaguan.unizar.es/record/58421/files/texto_completo.pdf$$yPostprint
000058421 8564_ $$s69046$$uhttps://zaguan.unizar.es/record/58421/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000058421 909CO $$ooai:zaguan.unizar.es:58421$$particulos$$pdriver
000058421 951__ $$a2021-01-21-11:18:09
000058421 980__ $$aARTICLE