Publications by the researcher in collaboration with ANDRES GARCIA ALGARRA (39)

2024

  1. Spin-Crossing in the (Z)-Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration

    Inorganic chemistry, Vol. 63, Núm. 2, pp. 1000-1009

2023

  1. Efficient (Z)-selective semihydrogenation of alkynes catalyzed by air-stable imidazolyl amino molybdenum cluster sulfides

    Inorganic Chemistry Frontiers, Vol. 10, Núm. 6, pp. 1786-1794

  2. Fe(ii) complexes of pyridine-substituted thiosemicarbazone ligands as catalysts for oxidations with hydrogen peroxide

    Dalton Transactions, Vol. 52, Núm. 40, pp. 14606-14612

2022

  1. Base-Free Catalytic Hydrogen Production from Formic Acid Mediated by a Cubane-Type Mo3S4Cluster Hydride

    Inorganic Chemistry, Vol. 61, Núm. 42, pp. 16730-16739

2021

  1. Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay

    European Journal of Inorganic Chemistry, Vol. 2021, Núm. 42, pp. 4377-4382

  2. Catalytic Hydrogenation of Azobenzene in the Presence of a Cuboidal Mo3S4Cluster via an Uncommon Sulfur-Based H2Activation Mechanism

    ACS Catalysis, Vol. 11, Núm. 2, pp. 608-614

2020

  1. Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters

    International Journal of Quantum Chemistry, Vol. 120, Núm. 19

2019

  1. Proton-assisted air oxidation mechanisms of iron(ii) bis-thiosemicarbazone complexes at physiological pH: a kinetico-mechanistic study

    Dalton Transactions, Vol. 48, Núm. 44, pp. 16578-16587

2018

  1. Coordination Chemistry of Cu2+ Complexes of Small N-Alkylated Tetra-azacyclophanes with SOD Activity

    Inorganic Chemistry, Vol. 57, Núm. 17, pp. 10961-10973

  2. Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation

    ACS Catalysis, Vol. 8, Núm. 8, pp. 7346-7350

2017

  1. Computational Insights Into the Reactivity at the Sulfur Atoms of M3S4 (M = Mo, W) Clusters: The Mechanism of [3 + 2] Cycloaddition With Alkynes

    Advances in Inorganic Chemistry (Academic Press Inc.), pp. 311-342

  2. Kinetic Analysis and Mechanism of the Hydrolytic Degradation of Squaramides and Squaramic Acids

    Journal of Organic Chemistry, Vol. 82, Núm. 4, pp. 2160-2170

  3. Studies on the Reactivity of the [W3S4Br3(edpp)3]+ [edpp = (2-aminoethyl)diphenylphosphine] Cluster Cation towards Bases: The Active Role of the Amino Group

    European Journal of Inorganic Chemistry, Vol. 2017, Núm. 43, pp. 5006-5014

2016

  1. Cycloaddition of alkynes to diimino Mo3S4 cubane-type clusters: A combined experimental and theoretical approach

    New Journal of Chemistry, Vol. 40, Núm. 9, pp. 7872-7880

  2. Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo3CuS4 Clusters with 4,4′-Di-tert-butyl-2,2′-bipyridine

    Inorganic Chemistry, Vol. 55, Núm. 19, pp. 9912-9922

2015

  1. Mechanism of [3 + 2] cycloaddition of alkynes to the [Mo3S4(acac)3(py)3][PF6] cluster

    Chemistry - A European Journal, Vol. 21, Núm. 7, pp. 2835-2844

  2. On the Critical Effect of the Metal (Mo vs. W) on the [3+2] Cycloaddition Reaction of M3S4 Clusters with Alkynes: Insights from Experiment and Theory

    Chemistry - A European Journal, Vol. 21, Núm. 42, pp. 14823-14833

2014

  1. Equilibrium and kinetics studies on bibrachial lariat aza-crown/Cu(II) systems reveal different behavior associated with small changes in the structure

    Inorganica Chimica Acta, Vol. 417, pp. 246-257

2013

  1. Kinetic and DFT studies on the mechanism of C-S bond formation by alkyne addition to the [Mo3S4(H2O)9] 4+ cluster

    Inorganic Chemistry, Vol. 52, Núm. 24, pp. 14334-14342

2012

  1. A DFT and TD-DFT approach to the understanding of statistical kinetics in substitution reactions of M 3Q 4 (M=Mo, W; Q=S, Se) cuboidal clusters

    Chemistry - A European Journal, Vol. 18, Núm. 16, pp. 5036-5046