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The molecular structure of [VO(bha)(pydx\u2010dmen)] is determined by single\u2010crystal X\u2010ray diffraction and confirms the distorted octahedral geometry as well as the ONN and OO binding modes of pydx\u2010dmen<jats:sup>\u2013<\/jats:sup> and bha<jats:sup>2\u2013<\/jats:sup>, respectively, in their binding to the V<jats:sup>V<\/jats:sup>O centre. The noninnocent catechol<jats:sup>2\u2013<\/jats:sup> and bha<jats:sup>2\u2013<\/jats:sup> ligands play significant roles in the electronic properties of the metal complexes investigated by UV\/Vis, IR, and <jats:sup>51<\/jats:sup>V NMR spectroscopy. Evidence for the noninnocent behavior of catechol<jats:sup>2\u2013<\/jats:sup> and bha<jats:sup>2\u2013<\/jats:sup> ligands was obtained; the [V<jats:sup>V<\/jats:sup>O(cat)(L)] and [V<jats:sup>V<\/jats:sup>O(bha)(L)] complexes exhibit <jats:sup>51<\/jats:sup>V NMR resonances (<jats:italic>\u03b4<\/jats:italic><jats:sub>V<\/jats:sub>) in the range +535 to \u201310 ppm and intense ligand\u2010to\u2010metal charge\u2010transfer bands in the visible and near infrared range. The observed <jats:italic>\u03b4<\/jats:italic><jats:sub>V<\/jats:sub> chemical shifts linearly correlate with the inverse of the energies of the LMCT transitions.<\/jats:p>","DOI":"10.1002\/ejic.201200656","type":"journal-article","created":{"date-parts":[[2012,8,31]],"date-time":"2012-08-31T06:25:21Z","timestamp":1346394321000},"page":"4846-4855","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["Spectroscopic and Structural Characterization of Noninnocent Mixed\u2010Ligand Oxidovanadium(V) Complexes"],"prefix":"10.1002","volume":"2012","author":[{"given":"Mannar R.","family":"Maurya","sequence":"first","affiliation":[]},{"given":"Manisha","family":"Bisht","sequence":"additional","affiliation":[]},{"given":"Nikita","family":"Chaudhary","sequence":"additional","affiliation":[]},{"given":"Amit","family":"Kumar","sequence":"additional","affiliation":[]},{"given":"Fernando","family":"Avecilla","sequence":"additional","affiliation":[]},{"given":"Jo\u00e3o","family":"Costa Pessoa","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2012,8,31]]},"reference":[{"key":"e_1_2_6_1_2","unstructured":"\u00a0"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2008.12.003"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1040-8428(01)00221-9"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic102412s"},{"key":"e_1_2_6_5_2","unstructured":"\u00a0"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2011.01.050"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic0604922"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/9780470994429"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr980427c"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1039\/b710347f"},{"key":"e_1_2_6_11_2","unstructured":"\u00a0"},{"key":"e_1_2_6_12_2","doi-asserted-by":"crossref","DOI":"10.1201\/9781420046144","volume-title":"Vanadium \u2013 Chemistry, Biochemistry Pharmacology and Practical Applications","author":"Tracey A. 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