Metalloradical Compounds with 1,2-Dipivaloylhydrazido Ligands: Electron Transfer and Alkylation/Protonation Effects. European Journal of Inorganic Chemistry, (2019)21:2639--2647, 2019. [PUMA: alkylation calcn complex complex;spectroelectrochem crystal dipivaloylhydrazido effect mol osmium prepn protonation ruthenium structure structure;electron transfer]
A Diruthenium Complex of a \dqNindigo\dq Ligand. Inorganic Chemistry, (52)15:8467--8475, 2013. [PUMA: DFT calcn complex complex;dinuclear crystal dinuclear electrochem indigodiphenylimine pentanedionato prepn ruthenium structure]
Asymmetrical Diruthenium Complex Bridged by a Redox-Active Ligand. Inorganic Chemistry, (51)3:1675--1684, 2012. [PUMA: asym azobis calcn cationic complex complex;mol cymene mol prepn pyridine ruthenium structure structure;crystal]
Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement. Inorganic Chemistry, (55)23:12357--12365, 2016. [PUMA: azapentacene calcn complex complex;DFT complex;EPR complex;cyclic complex;isomeric crystal diketonate dinuclear isomeric prepn;NIR quinone ruthenium spectra structure voltammetry]
Electronic structure and catalytic aspects of Ru(tpm)(bqdi)(Cl/H2O)n, tpm = tris(1-pyrazolyl)methane and bqdi = o-benzoquinonediimine. Dalton Transactions, (42)10:3721--3734, 2013. [PUMA: DFT aqua benzoquinonediimine calcn catalyst catalyst;ruthenium chloro complex complex;olefin crystal electrochem epoxidn methanetrispyrazole prepn ruthenium structure]
Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands. Inorganic Chemistry, (53)14:7389--7403, 2014. [PUMA: DFT EPR acetylacetonato bisphenyliminoacenaphthene calcn complex complex;ruthenium crystal electrochem prepn ruthenium structure tetrakispyridylpyrazine]
Geometrical and ground state electronic structures of nitrosylcobalt complexes (RNCHCHNR)Co(NO)(CO) (R = isopropyl, 2,6-diisopropylphenyl or p-tolyl) from experiment and DFT-calculations. Zeitschrift fuer Anorganische und Allgemeine Chemie, (628)11:2360--2364, 2002. [PUMA: DFT calcn cobalt complex complex;nitrosylcobalt crystal diazabutadiene electronic ground mol nitrosyl prepn state structure]
The d0, d1, and d2 Configurations in Known and Unknown Tetrathiometal Compounds MS4n- (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical Study. Inorganic Chemistry, (38)26:6101--6105, 1999. [PUMA: calcn calcn;molybdenum calcn;osmium calcn;rhenium calcn;ruthenium calcn;technetium calcn;tetrathiometalate calcn;thiometalate calcn;transition calcn;tungsten electronic energetic metal metalate mol structure sulfide tetrathio]
Reactivity of \dqGaI\dq Toward N-Substituted 1,4-Diazabuta-1,3-dienes: Synthesis and Characterization of Gallium Heterocycles Containing Paramagnetic Diazabutadiene Monoanions. Organometallics, (21)15:3169--3172, 2002. [PUMA: B3LYP ESR calcn diazabutadiene diazabutadiene;heterocycle formation gallium heterocycle;crystal heterocycle;gallium in iodide mol monoanion paramagnetic prepn reaction situ spectra structure]
Bidirectional non-innocence of the b-diketonato ligand 9-oxidophenalenone (L-) in Ru(9aneS3)(L)(dmso)n, 9aneS3 = 1,4,7-trithiacyclononane. Dalton Transactions, (43)10:3939--3948, 2014. [PUMA: DFT DMSO calcn complex crystal electrochem electronic oxidophenalenone prepn ruthenium structure structure;ruthenium trithiacyclononane]
Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 28. Selective Alkylation and Reactivity of \dqCarbons Adjacent\dq and \dqCarbons Apart\dq Tetracarba-nido-dodecaborane(12) Derivatives toward Group 1 and Group 2 Metals. Synthetic, Spectroscopic, and Structural Investigations on Lithium-, Sodium-, Potassium-, Cesium-, and Magnesium-Complexed C4B8 Carboranes. Organometallics, (19)4:497--508, 2000. [PUMA: DFT Group IA alkylation;magnesacarborane calcn calcn;mol crystal geometry magnesacarborane;heterocarborane magnesium metal metalation metallacarborane optimized prepn structure substituted substituted;DFT trimethylsilyl]
Experimental- and DFT Evidence for the Fractional Non-Innocence of a b-Diketonate Ligand. Chemistry - A European Journal, (18)45:14434-14443, S14434/1-S14434/24, 2012. [PUMA: calcn complex complex;ruthenium cyclic diketonate electron exchange ligand noninnocent oxidophenalenone oxidophenalenone;DFT oxidophenalenone;EPR oxidophenalenone;noninnocence phenylazopyridine prepn ruthenium voltammetry]
Synthesis and characterization of the persistent radical BCl2(bipy). Chemical Communications (Cambridge, United Kingdom), (46)28:5070--5072, 2010. [PUMA: ESR bipyridine boron calcn chloro complex crystal prepn radical structure;DFT]
Metal(IV) Complexes M(LN,O,S)2n (M = Ru, Os) of a Redox-Active o-Amidophenolate Ligand (LN,O,S)2- with Coordinating Thioether Appendix. European Journal of Inorganic Chemistry, (2012)22:3569-3576, S3569/1-S3569/5, 2012. [PUMA: calcn complex complex;DFT complex;ESR complex;mononuclear crystal cyclic mononuclear osmium prepn ruthenium spectra structure;UV thiophenylamidophenolate tridentate voltammetry]
Charge delocalization in a heterobimetallic ferrocene-(vinyl)Ru(CO)Cl(PiPr3)2 system. Organometallics, (28)14:4196--4209, 2009. [PUMA: calcn communication complex complex;frontier complex;mixed complex;solvent complex;vinylferrocene conjugation crystal effect electronic electrooxidn;mol ethenylruthenium ferrocenyl mixed orbital oxidn prepn ruthenium sigma spectra structure valence]
Ligand-Centered Oxidations and Electron Delocalization in a Tetranuclear Complex of a Tetradonor-Substituted Olefin. Organometallics, (27)14:3321--3324, 2008. [PUMA: calcn centered complex complex;mol complex;styryl delocalization electron ethene ligand olefin oxidn phosphine prepn ruthenium structure styryl tetradonor tetranuclear]
Ligand-Centered Oxidations and Electron Delocalization in a Tetranuclear Complex of a Tetradonor-Substituted Olefin. Organometallics, (27)14:3321--3324, 2008. [PUMA: calcn centered complex complex;mol complex;styryl delocalization electron ethene ligand olefin oxidn phosphine prepn ruthenium structure styryl tetradonor tetranuclear]
Charge delocalization in a heterobimetallic ferrocene-(vinyl)Ru(CO)Cl(PiPr3)2 system. Organometallics, (28)14:4196--4209, 2009. [PUMA: calcn communication complex complex;frontier complex;mixed complex;solvent complex;vinylferrocene conjugation crystal effect electronic electrooxidn;mol ethenylruthenium ferrocenyl mixed orbital oxidn prepn ruthenium sigma spectra structure valence]
Metal(IV) Complexes M(LN,O,S)2n (M = Ru, Os) of a Redox-Active o-Amidophenolate Ligand (LN,O,S)2- with Coordinating Thioether Appendix. European Journal of Inorganic Chemistry, (2012)22:3569-3576, S3569/1-S3569/5, 2012. [PUMA: calcn complex complex;DFT complex;ESR complex;mononuclear crystal cyclic mononuclear osmium prepn ruthenium spectra structure;UV thiophenylamidophenolate tridentate voltammetry]
Synthesis and characterization of the persistent radical BCl2(bipy). Chemical Communications (Cambridge, United Kingdom), (46)28:5070--5072, 2010. [PUMA: ESR bipyridine boron calcn chloro complex crystal prepn radical structure;DFT]