2020
Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy
Morzan U, Videla P, Soley M, Nibbering E, Batista V. Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X‐Ray Absorption Spectroscopy. Angewandte Chemie 2020, 132: 20219-20223. DOI: 10.1002/ange.202007192.Peer-Reviewed Original ResearchUltrafast X-ray absorption spectroscopySoft X-ray spectral regionSpectral regionDetailed dynamical informationX-ray absorption spectroscopyPhotodissociation of ICNProbe spectroscopyCoherent vibrationsProbe spectraUltrafast resolutionVibronic dynamicsExcited statesAtomic specificitySpectral lineshapesAbsorption spectroscopyDynamical informationCN fragmentsTime-domain signaturesPhotochemical processesFrontier orbitalsDirect insightSpectroscopyProbability densityPhotodissociationLineshape
2018
Behavior of Ru–bda Water‐Oxidation Catalysts in Low Oxidation States
Matheu R, Ghaderian A, Francàs L, Chernev P, Ertem M, Benet‐Buchholz J, Batista V, Haumann M, Gimbert‐Suriñach C, Sala X, Llobet A. Behavior of Ru–bda Water‐Oxidation Catalysts in Low Oxidation States. Chemistry - A European Journal 2018, 24: 12838-12847. PMID: 29897655, DOI: 10.1002/chem.201801236.Peer-Reviewed Original ResearchCoordination modeRu centerRu complexesWater moleculesVariable-temperature NMR spectroscopyHydrogen-bonded water moleculesX-ray absorption spectroscopyPseudo-octahedral geometryAdditional water moleculesMain coordination modesNew Ru complexesLower oxidation statesSingle crystal XRDSecond coordination sphereComplex 1 reactsAcidic aqueous solutionExcess of NOTridentate mannerAniline ligandNew RuO ligandsCoordination sphereNMR spectroscopySynthetic intermediatesCarboxylate groups
2015
Behavior of the Ru-bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes
Matheu R, Francàs L, Chernev P, Ertem M, Batista V, Haumann M, Sala X, Llobet A. Behavior of the Ru-bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes. ACS Catalysis 2015, 5: 3422-3429. DOI: 10.1021/acscatal.5b00132.Peer-Reviewed Original ResearchWater oxidation catalystsX-ray absorption spectroscopyElectrode surfaceHybrid materialsGlassy carbonOxidation catalystHeterogeneous water oxidation catalystsGC electrode surfaceGlassy carbon electrodeRu-aqua complexesLow catalytic performanceOxidation of waterNew hybrid materialsGC electrodeElectrochemical reductionCarbon electrodeCovalent graftingActive catalystGood electrocatalystCatalytic performanceVoltammetric experimentsElectrochemical techniquesMetal oxidesAbsorption spectroscopyMolecular complexes