%0 Journal Article %1 Mandal.2015c %A Mandal, Abhishek %A Grupp, Anita %A Schwederski, Brigitte %A Kaim, Wolfgang %A Lahiri, Goutam Kumar. %D 2015 %J Inorganic Chemistry %K DFT bipyridine complex crystal electrochem ellagate pentanedionate phenylazopyridine phenylazopyridine;ruthenium prepn ruthenium structure %N 20 %P 10049--10057 %R 10.1021/acs.inorgchem.5b01868 %T Noninnocently Behaving Bridging Anions of the Widely Distributed Antioxidant Ellagic Acid in Diruthenium Complexes %V 54 %X Dinuclear compds. L2Ru(m-E)RuL2n where L is acetylacetonate (acac-, 2,4-pentanedionate), 2,2'-bipyridine (bpy), or 2-phenylazopyridine (pap) and EH4 is ellagic acid, an antioxidative bis-catechol natural product, were studied by voltammetric and spectroelectrochem. techniques (UV-vis-NIR and ESR). The electronic structures of the isolated forms (NBu4)2(acac)2Ru(m-E)Ru(acac)2 ((NBu4)21), (bpy)2Ru(m-E)Ru(bpy)2ClO4 (2ClO4), and (pap)2Ru(m-E)Ru(pap)2 (3) were characterized by d. functional theory (DFT) in conjunction with EPR and UV-vis-NIR measurements. The crystal structure of (NBu4)21 revealed the meso form and a largely planar Ru(m-E)Ru center. Several addnl. charge states of the compds. were electrochem. accessible and were identified mostly as complexes with noninnocently behaving pap0/.bul.- or bridging ellagate (En-) anions (n = 2, 3, 4) but not as mixed-valence intermediates. The free anions En-, n = 1-4, were calcd. by time-dependent DFT to reveal NIR transitions for the radical forms with n = 1 and 3 and a triplet ground state for the bis(o-semiquinone) dianion E2-. on SciFinder(R)

@article{Mandal.2015c, abstract = {Dinuclear compds. [L2Ru(\textgreek{m}-E)RuL2]n where L is acetylacetonate (acac-, 2,4-pentanedionate), 2,2'-bipyridine (bpy), or 2-phenylazopyridine (pap) and EH4 is ellagic acid, an antioxidative bis-catechol natural product, were studied by voltammetric and spectroelectrochem. techniques (UV-vis-NIR and ESR). The electronic structures of the isolated forms (NBu4)2[(acac)2Ru(\textgreek{m}-E)Ru(acac)2] ((NBu4)2[1]), [(bpy)2Ru(\textgreek{m}-E)Ru(bpy)2]ClO4 ([2]ClO4), and [(pap)2Ru(\textgreek{m}-E)Ru(pap)2] ([3]) were characterized by d. functional theory (DFT) in conjunction with EPR and UV-vis-NIR measurements. The crystal structure of (NBu4)2[1] revealed the meso form and a largely planar Ru(\textgreek{m}-E)Ru center. Several addnl. charge states of the compds. were electrochem. accessible and were identified mostly as complexes with noninnocently behaving pap0/.bul.- or bridging ellagate (En-) anions (n = 2, 3, 4) but not as mixed-valence intermediates. The free anions En-, n = 1-4, were calcd. by time-dependent DFT to reveal NIR transitions for the radical forms with n = 1 and 3 and a triplet ground state for the bis(o-semiquinone) dianion E2-. [on SciFinder(R)]}, added-at = {2019-07-15T13:41:23.000+0200}, author = {Mandal, Abhishek and Grupp, Anita and Schwederski, Brigitte and Kaim, Wolfgang and Lahiri, Goutam Kumar.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2c01231f2d341e664fb99950dbe713533/b_schwederski}, doi = {10.1021/acs.inorgchem.5b01868}, interhash = {e4385ecd5267f5d041a931741126571e}, intrahash = {c01231f2d341e664fb99950dbe713533}, issn = {0020-1669}, journal = {Inorganic Chemistry}, keywords = {DFT bipyridine complex crystal electrochem ellagate pentanedionate phenylazopyridine phenylazopyridine;ruthenium prepn ruthenium structure}, number = 20, pages = {10049--10057}, timestamp = {2019-07-15T11:42:10.000+0200}, title = {Noninnocently Behaving Bridging Anions of the Widely Distributed Antioxidant Ellagic Acid in Diruthenium Complexes}, volume = 54, year = 2015 }