Electronic and magnetic properties of the binuclear [Mn-2{(OPPh2)(2)N}(4)] complex, as revealed by magnetometry, EPR and density functional broken-symmetry studies
| dc.contributor.author | Tzima, T. D. | en |
| dc.contributor.author | Ferentinos, E. | en |
| dc.contributor.author | Maganas, D. | en |
| dc.contributor.author | Melissas, V. S. | en |
| dc.contributor.author | Sanakis, Y. | en |
| dc.contributor.author | Kyritsis, P. | en |
| dc.date.accessioned | 2015-11-24T16:57:40Z | |
| dc.date.available | 2015-11-24T16:57:40Z | |
| dc.identifier.issn | 0277-5387 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/10604 | |
| dc.rights | Default Licence | - |
| dc.subject | binuclear mn(ii) complex | en |
| dc.subject | tetraphenylimidodiphosphinic acid | en |
| dc.subject | magnetometry | en |
| dc.subject | epr spectroscopy | en |
| dc.subject | density functional theory | en |
| dc.subject | antiferromagnetic coupling | en |
| dc.subject | single-crystal characterization | en |
| dc.subject | transition-metal-complexes | en |
| dc.subject | q-band epr | en |
| dc.subject | molecular-structure | en |
| dc.subject | tetraorganodichalcogenoimidodiphosphinato-ligands | en |
| dc.subject | manganese(ii) complexes | en |
| dc.subject | paramagnetic-resonance | en |
| dc.subject | bridged manganese(ii) | en |
| dc.subject | oxidation-states | en |
| dc.subject | spin parameters | en |
| dc.title | Electronic and magnetic properties of the binuclear [Mn-2{(OPPh2)(2)N}(4)] complex, as revealed by magnetometry, EPR and density functional broken-symmetry studies | en |
| heal.abstract | In this work, magnetometry and EPR spectroscopy studies on the binuclear Mn(II) complex [Mn-2{(OPPh2)(2)N}(4)] (1) established antiferromagnetic interactions between the two S = 5/2 Mn(II) centers being at 3.378 angstrom from each other. The magnitude of the J(AB) coupling constant, in the framework of the (H) over cap (HDvV) = -2J(AB)(S) over cap (A)(S) over cap (B) formalism, was determined to be -4.5 +/- 0.5 cm(-1), by the temperature dependence of the magnetic susceptibility of 1. This value is comparable with the one of the previously studied [Mn-2{(OPPh2)[OP(OEt)(2)]N}(4)(H2O)(2)] complex (-3.5 cm(-1)), which bears similar type of ligands. The anti-ferromagnetic nature of the coupling within the binuclear Mn2O4 core of 1 was unequivocally confirmed also by EPR studies on frozen CH2Cl2 solutions at various temperatures. Density functional broken-symmetry calculations confirmed the above experimental findings and provided J(AB) values in close agreement with the experiment. Comparisons with literature binuclear Co(II) or Mn(II) complexes were made. (C) 2012 Elsevier Ltd. All rights reserved. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | DOI 10.1016/j.poly.2012.07.084 | - |
| heal.identifier.secondary | <Go to ISI>://000318747100087 | - |
| heal.identifier.secondary | http://ac.els-cdn.com/S0277538712005372/1-s2.0-S0277538712005372-main.pdf?_tid=ae0e54a8-3581-11e3-afee-00000aab0f01&acdnat=1381831863_d1dc030fcfe528fc167b87f9c43dbf7c | - |
| heal.journalName | Polyhedron | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 2013 | - |
| heal.publisher | Elsevier | en |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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