000062049 001__ 62049
000062049 005__ 20190709135429.0
000062049 0247_ $$2doi$$a10.1039/C7SC00487G
000062049 0248_ $$2sideral$$a99505
000062049 037__ $$aART-2017-99505
000062049 041__ $$aeng
000062049 100__ $$aSanz, Sergio
000062049 245__ $$a[MIII2MII3]n+ trigonal bipyramidal cages based on diamagnetic and paramagnetic metalloligands
000062049 260__ $$c2017
000062049 5060_ $$aAccess copy available to the general public$$fUnrestricted
000062049 5203_ $$aA family of five [MIII2MII3]n+ trigonal bipyramidal cages (MIII = Fe, Cr and Al; MII = Co, Zn and Pd; n = 0 for 1–3 and n = 6 for 4–5) of formulae [Fe2Co3L6Cl6] (1), [Fe2Zn3L6Br6] (2), [Cr2Zn3L6Br6] (3), [Cr2Pd3L6(dppp)3](OTf)6 (4) and [Al2Pd3L6(dppp)3](OTf)6 (5) (where HL is 1-(4-pyridyl)butane-1,3-dione and dppp is 1,3-bis(diphenylphosphino)propane) are reported. Neutral cages 1–3 were synthesised using the tritopic [MIIIL3] metalloligand in combination with the salts CoIICl2 and ZnIIBr2, which both act as tetrahedral linkers. The assembly of the cis-protected [PdII(dppp)(OTf)2] with [MIIIL3] afforded the anionic cages 4–5 of general formula [MIII2PdII3](OTf)6. The metallic skeleton of all cages describes a trigonal bipyramid with the MIII ions occupying the two axial sites and the MII ions sitting in the three equatorial positions. Direct current (DC) magnetic susceptibility, magnetisation and heat capacity measurements on 1 reveal weak antiferromagnetic exchange between the FeIII and CoII ions. EPR spectroscopy demonstrates that the distortion imposed on the {MO6} coordination sphere of [MIIIL3] by complexation in the {MIII2MII3} supramolecules results in a small, but measurable, increase of the zero field splitting at MIII. Complete active space self-consistent field (CASSCF) calculations on the three unique CoII sites of 1 suggest DCo ˜ -14 cm-1 and E/D ˜ 0.1, consistent with the magnetothermal and spectroscopic data.
000062049 536__ $$9info:eu-repo/grantAgreement/ES/MINECO-FEDER/MAT2015-68204-R$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2013-44063-R
000062049 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000062049 590__ $$a9.063$$b2017
000062049 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b18 / 171 = 0.105$$c2017$$dQ1$$eT1
000062049 592__ $$a4.508$$b2017
000062049 593__ $$aChemistry (miscellaneous)$$c2017$$dQ1
000062049 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000062049 700__ $$aO'Connor, Helen M.
000062049 700__ $$aMartí-Centelles, Vicente
000062049 700__ $$aComar, Priyanka
000062049 700__ $$aPitak, Mateusz B.
000062049 700__ $$aColes, Simon J.
000062049 700__ $$0(orcid)0000-0002-4078-6808$$aLorusso, Giulia
000062049 700__ $$0(orcid)0000-0003-3567-7030$$aPalacios, Elías$$uUniversidad de Zaragoza
000062049 700__ $$0(orcid)0000-0002-8028-9064$$aEvangelisti, Marco$$uUniversidad de Zaragoza
000062049 700__ $$aBaldansuren, Amga
000062049 700__ $$aChilton, Nicholas F.
000062049 700__ $$aWeihe, Høgni
000062049 700__ $$aMcInnes, Eric J.L.
000062049 700__ $$aPLusby, Paul J.
000062049 700__ $$aPiligkos Stergios
000062049 700__ $$aBrechin, Euan K.
000062049 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000062049 773__ $$g8 (2017), 5526-5535$$pChem. sci.$$tCHEMICAL SCIENCE$$x2041-6520
000062049 8564_ $$s596883$$uhttps://zaguan.unizar.es/record/62049/files/texto_completo.pdf$$yVersión publicada
000062049 8564_ $$s114595$$uhttps://zaguan.unizar.es/record/62049/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000062049 909CO $$ooai:zaguan.unizar.es:62049$$particulos$$pdriver
000062049 951__ $$a2019-07-09-11:31:15
000062049 980__ $$aARTICLE