000057725 001__ 57725
000057725 005__ 20210121114524.0
000057725 0247_ $$2doi$$a10.1039/c4sc02491e
000057725 0248_ $$2sideral$$a89302
000057725 037__ $$aART-2015-89302
000057725 041__ $$aeng
000057725 100__ $$aVelasco, V.
000057725 245__ $$aNew coordination features; A bridging pyridine and the forced shortest non-covalent distance between two CO3 2- species
000057725 260__ $$c2015
000057725 5060_ $$aAccess copy available to the general public$$fUnrestricted
000057725 5203_ $$aThe aerobic reaction of the multidentate ligand 2,6-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-pyridine, H4L, with Co(II) salts in strong basic conditions produces the clusters [Co-4(L)(2)(OH)(py)(7)]NO3 (1) and [Co8Na4(L)(4)(OH)(2)(CO3)(2)(py)(10)](BF4)(2) (2). Analysis of their structure unveils unusual coordination features including a very rare bridging pyridine ligand or two trapped carbonate anions within one coordination cage, forced to stay at an extremely close distance (d(O center dot center dot center dot O) = 1.946 angstrom). This unprecedented non-bonding proximity represents a meeting point between long covalent interactions and "intermolecular" contacts. These original motifs have been analysed here through DFT calculations, which have yielded interaction energies and the reduced repulsion energy experimented by both CO32 anions when located in close proximity inside the coordination cage.
000057725 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/MAT2011-24284$$9info:eu-repo/grantAgreement/ES/MICINN/CTQ2009-06959
000057725 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000057725 590__ $$a9.144$$b2015
000057725 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b14 / 163 = 0.086$$c2015$$dQ1$$eT1
000057725 592__ $$a4.647$$b2015
000057725 593__ $$aChemistry (miscellaneous)$$c2015$$dQ1
000057725 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000057725 700__ $$aAguilà, D.
000057725 700__ $$aBarrios, L.A.
000057725 700__ $$aBorilovic, I.
000057725 700__ $$0(orcid)0000-0003-2095-5843$$aRoubeau, O.$$uUniversidad de Zaragoza
000057725 700__ $$aRibas-Ariño, J.
000057725 700__ $$aFumanal, M.
000057725 700__ $$aTeat, S.J.
000057725 700__ $$aAromí, G.
000057725 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000057725 773__ $$g6, 1 (2015), 123-131$$pChem. sci.$$tChemical Science$$x2041-6520
000057725 8564_ $$s325897$$uhttps://zaguan.unizar.es/record/57725/files/texto_completo.pdf$$yVersión publicada
000057725 8564_ $$s110531$$uhttps://zaguan.unizar.es/record/57725/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000057725 909CO $$ooai:zaguan.unizar.es:57725$$particulos$$pdriver
000057725 951__ $$a2021-01-21-11:04:57
000057725 980__ $$aARTICLE