{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,27]],"date-time":"2026-03-27T06:36:45Z","timestamp":1774593405992,"version":"3.50.1"},"reference-count":127,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2004,4,21]],"date-time":"2004-04-21T00:00:00Z","timestamp":1082505600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chemistry A European J"],"published-print":{"date-parts":[[2004,5,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The Schiff base <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032\u2010ethylenebis(pyridoxylideneiminato) (H<jats:sub>2<\/jats:sub>pyr<jats:sub>2<\/jats:sub>en, <jats:bold>1<\/jats:bold>) was synthesized by reaction of pyridoxal with ethylenediamine; reduction of H<jats:sub>2<\/jats:sub>pyr<jats:sub>2<\/jats:sub>en with NaBH<jats:sub>4<\/jats:sub> yielded the reduced Schiff base <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032\u2010ethylenebis(pyridoxylaminato) (H<jats:sub>2<\/jats:sub>Rpyr<jats:sub>2<\/jats:sub>en, <jats:bold>2<\/jats:bold>); their crystal structures were determined by X\u2010ray diffraction. The totally protonated forms of <jats:bold>1<\/jats:bold> and <jats:bold>2<\/jats:bold> correspond to H<jats:sub>6<\/jats:sub>L<jats:sup>4+<\/jats:sup>, and all protonation constants were determined by pH\u2010potentiometric and <jats:sup>1<\/jats:sup>H NMR titrations. Several vanadium(<jats:sc>IV<\/jats:sc>) and vanadium(<jats:sc>V<\/jats:sc>) complexes of these and other related ligands were prepared and characterized in solution and in the solid state. The X\u2010ray crystal structure of [V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub>(HRpyr<jats:sub>2<\/jats:sub>en)] shows the metal in a distorted octahedral geometry, with the ligand coordinated through the N\u2010amine and O\u2010phenolato moieties, with one of the pyridine\u2010N atoms protonated. Crystals of [(V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub>)<jats:sub>2<\/jats:sub>(pyren)<jats:sub>2<\/jats:sub>]\u22c52\u2009H<jats:sub>2<\/jats:sub>O were obtained from solutions containing H<jats:sub>2<\/jats:sub>pyr<jats:sub>2<\/jats:sub>en and oxovanadium(<jats:sc>IV<\/jats:sc>), where Hpyren is the \u201chalf\u201d Schiff base of pyridoxal and ethylenediamine. The complexation of V<jats:sup>IV<\/jats:sup>O<jats:sup>2+<\/jats:sup> and V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub><jats:sup>+<\/jats:sup> with H<jats:sub>2<\/jats:sub>pyr<jats:sub>2<\/jats:sub>en, H<jats:sub>2<\/jats:sub>Rpyr<jats:sub>2<\/jats:sub>en and pyridoxamine in aqueous solution were studied by pH\u2010potentiometry, UV\/Vis absorption spectrophotometry, as well as by EPR spectroscopy for the V<jats:sup>IV<\/jats:sup>O systems and <jats:sup>1<\/jats:sup>H and <jats:sup>51<\/jats:sup>V NMR spectroscopy for the V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub> systems. Very significant differences in the metal\u2010binding abilities of the ligands were found. Both <jats:bold>1<\/jats:bold> and <jats:bold>2<\/jats:bold> act as tetradentate ligands. H<jats:sub>2<\/jats:sub>Rpyr<jats:sub>2<\/jats:sub>en is stable to hydrolysis and several isomers form in solution, namely <jats:italic>cis<\/jats:italic>\u2013<jats:italic>trans<\/jats:italic> type complexes with V<jats:sup>IV<\/jats:sup>O, and \u03b1<jats:italic>\u2010cis<\/jats:italic>\u2010 and \u03b2<jats:italic>\u2010cis<\/jats:italic>\u2010type complexes with V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub>. The pyridinium\u2010N atoms of the pyridoxal rings do not take part in the coordination but are involved in acid\u2013base reactions that affect the number, type, and relative amount of the isomers of the V<jats:sup>IV<\/jats:sup>O\u2013H<jats:sub>2<\/jats:sub>Rpyr<jats:sub>2<\/jats:sub>en and V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub>\u2013H<jats:sub>2<\/jats:sub>Rpyr<jats:sub>2<\/jats:sub>en complexes present in solution. DFT calculations were carried out and support the formation and identification of the isomers detected by EPR or NMR spectroscopy, and the strong equatorial and axial binding of the O\u2010phenolato in V<jats:sup>IV<\/jats:sup>O and V<jats:sup>V<\/jats:sup>O<jats:sub>2<\/jats:sub> complexes. Moreover, the DFT calculations done for the [V<jats:sup>IV<\/jats:sup>O(H<jats:sub>2<\/jats:sub>Rpyr<jats:sub>2<\/jats:sub>en)] system indicate that for almost all complexes the presence of a sixth equatorial or axial H<jats:sub>2<\/jats:sub>O ligand leads to much more stable compounds.<\/jats:p>","DOI":"10.1002\/chem.200305317","type":"journal-article","created":{"date-parts":[[2004,4,21]],"date-time":"2004-04-21T08:21:44Z","timestamp":1082535704000},"page":"2301-2317","source":"Crossref","is-referenced-by-count":127,"title":["<i>N<\/i>,<i>N<\/i>\u2032\u2010Ethylenebis(pyridoxylideneiminato) and <i>N<\/i>,<i>N<\/i>\u2032\u2010Ethylenebis(pyridoxylaminato): Synthesis, Characterization, Potentiometric, Spectroscopic, and DFT Studies of Their Vanadium(<scp>IV<\/scp>) and Vanadium(<scp>V<\/scp>) Complexes"],"prefix":"10.1002","volume":"10","author":[{"given":"Isabel","family":"Correia","sequence":"first","affiliation":[]},{"given":"Jo\u0101o","family":"Costa Pessoa","sequence":"additional","affiliation":[]},{"given":"M. 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The estimated accuracy ofA\u2225estis \u00b13\u00d710\u22124cm\u22121.[45]This data can be used to establish the most probable binding mode of the complexes formed but care must be taken as the contributions of the donor groups to the hyperfine coupling may depend on their orientation [47]or charge of the ligand.[48]The influence of the axial donor groups (if any) is not taken into account."},{"key":"e_1_2_6_51_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja991552o"},{"key":"e_1_2_6_52_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3765(19990301)5:3<910::AID-CHEM910>3.0.CO;2-#"},{"key":"e_1_2_6_53_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic970868z"},{"key":"e_1_2_6_54_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic00120a029"},{"key":"e_1_2_6_55_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic970284x"},{"key":"e_1_2_6_56_2","first-page":"78","volume-title":"Magnetochemistry","author":"Selwood P. 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For pH>5 the1H and51V NMR spectra of these samples did not differ from those recorded with similar solutions that had been studied at low pH. We are currently investigating the processes involved in the VIV V\u2013Rpyr2en system in this pH range."},{"key":"e_1_2_6_75_2","first-page":"453","volume-title":"Comprehensive Coordination Chemistry, Vol 3","author":"Vilas\u2010Boas L. 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