Química Inorgànica i Orgànica: Recent submissions
Now showing items 81-100 of 978
Optimized asymmetric synthesis of umuravumbolide
Herein, the asymmetric synthesis of umuravumbolide (1) is described. The new approach features highly stereoselective transformations (dr ≥ 95:5) to install both stereocenters and the Z olefin, which involve a new radical ...
QM/MM calculations on selectivity in homogeneous catalysis
The application of QM/MM methods to the study of the reaction mechanisms involved in chemo-, regio-, and enantio- selective processes has been a very productive area of research in the last two decades. This review summarizes ...
Water-Stable Carborane-Based Eu3+/Tb3+ Metal−Organic Frameworks for Tunable Time-Dependent Emission Color and Their Application in Anticounterfeiting Bar-Coding
Luminescent lanthanide metal−organic frameworks (Ln-MOFs) have been shown to exhibit relevant optical properties of interest for practical applications, though their implementation still remains a challenge. To be suitable ...
TetrazolateazidocopperIJII) coordination polymers: tuned synthesis, structure, and magnetic properties
As the first example of using a parent tetrazole and an azide together in preparing magnetic complexes, two novel tetrazolate-azido-bridged Cu(ii) coordination polymers, [Cu(tz)(N3)]n (1) and [Cu(tz)(N3)(NH3)2]n (2) (tz = ...
Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters
Here, the kinetics of the concerted [3 + 2] cycloaddition reaction between the [Mo3(μ3‐S)(μ‐S)3Cl3(dmen)3]+ (dmen = N,N′‐dimethyl‐ethylenediamine) ([1]+) cluster and various alkynes to form dithiolene derivatives is ...
Direct and asymmetric nickel(II)-catalyzed construction of carbon−carbon bonds from N‑acyl thiazinanethiones
A wide array of new N-acyl thiazinanethiones are employed in a number of direct and enantioselective carbon-carbon bond forming reactions catalyzed by nickel(II) complexes. The electrophilic species are mostly prepared in ...
Biomass waste fern leaves as a material for a sustainable method of activated carbon production for CO2 capture
In this work, we report the use of activated carbon synthesized from a sustainable material - fern leaves - as a sorbent for carbon dioxide capture applications. The resource-friendly technology for activated carbon ...
Synthesis, RNAi activity and nuclease-resistant properties of apolar carbohydrates siRNA conjugates
Oligoribonucleotide conjugates carrying apolar carbohydrates at the 5′-end and the corresponding siRNA duplexes have been prepared using phosphoramidite chemistry. All the carbohydrate-siRNA derivatives were compatible ...
Computational study of the stability of pyrrolidine-derived iminium ions: exchange equilibria between iminium ions and carbonyl compounds
The tendency of carbonyl compounds to form iminium ions by reaction with pyrrolidine or chiral pyrrolidine derivatives (in other words, the relative stability to hydrolysis of these iminium ions) has been computationally ...
Synthesis and characterization of new mixed-valent Mn(II)/Mn(III) and mixed metal Ni/Mn complexes
Microwave assisted synthesis and bench-top reactions are compared for Mn and Mn/Ni reaction systems with substituted salicylic acid (2-hydroxy-6-isopropyl-3-methylbenzoic-acid (SALOH2). When Mn salts are used, the microwave ...
Exploring aurophilic interactions in P,C–Au(I)–Y complexes: Pathways to supramolecular aggregation
In this chapter we provide an extensive overview of Au’s inclination to form supramolecular assemblies through the establishment of Au···Au contacts, mainly in the solid state. We have focused on P–Au–Y and C–Au–Y ...
Size-Dependent passivation shell and magnetic properties in antiferromagnetic/ferrimagnetic core/shell MnO nanoparticles
The magnetic properties of bimagnetic core/shell nanoparticles consisting of an antiferromagnetic MnO core and a ferrimagnetic passivation shell have been investigated. It is found that the phase of the passivation shell ...
Guest-, light- and thermally-modulated spin crossover in [Fe-2(II)] supramolecular helicates
A new bis(pyrazolylpyridine) ligand (H2L) has been prepared to form functional [Fe-2(H2L)(3)](4+) metallohelicates. Changes to the synthesis yield six derivatives, X@[Fe-2(H2L)(3)]X(PF6)(2)center dot xCH(3)OH (1, x = 5.7 ...
Engineered MoxC/TiO<sub>2</sub> interfaces for efficient noble metal-free photocatalytic hydrogen production
Photoinduced hydrogen production is a promising green strategy to store the power from the Sun as chemical energy. One major challenge is to obtain efficient photocatalytic systems without employing noble metals. In this ...
Coordination chemistry and catalysis with secondary phosphine oxides
Secondary phosphine oxides present a tautomeric equilibrium between the pentavalent oxide form (SPO) and the trivalent phosphinous acid (PA). This dichotomy is the origin of the rich coordination chemistry of this class ...
BOM-phosphinite as an electrophilic P-stereogenic transfer reagent for the synthesis of bulky phosphines. Synthesis of tert-butyl(3,5-di-tert-butylphenyl)BisP*
BOM-tert-butylmethylphosphinite borane is an efficient electrophilic P-stereogenic transfer reagent for the synthesis of bulky tertiary phosphines. The novel methodology relies on a one-pot deprotection/substitution process. ...
Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systems
A computational methodology to model the spin-transition in the dinuclear iron(II) systems [Fe(bt)(NCX)2]2(μ-bpym) and [Fe(pypzH)(NCX)]2(μ-pypz)2 (X = S, Se or BH3) is presented. Using the hybrid meta-GGA exchange-correlation ...
A new trinuclear N-N bridged Cu(II) complex with an asymmetric Schiff base ligand derived from hydrazine
In this paper we report the synthesis of an asymmetric Schiff base ligand derived from hydrazine and its Cu(II) trinuclear coordination complex, [Cu-3(HYDRAV)(2)CI2] (HYDRAV-Cu). The ligand HYDRAVH(2) and the Cu(II) complex ...
Fluorescently labelled ceramides and 1-deoxyceramides: Synthesis, characterization and cellular distribution studies
Ceramides (Cer) are bioactive sphingolipids that have been proposed as potential disease biomarkers since they are involved in several cellular stress responses, including apoptosis and senescence. 1-Deoxyceramides ...
Alloying Effect in Low Loaded Rh Catalysts Supported on High Surface Area Alumina on Their Activity in CH4 and NO Decomposition
In the alloys of transition metals (TM) and main group ones (MGM) the valence electrons from MGM can fill the d band of the TMs entirely and slightly increase the number of electrons in their s band (Azaroff, 1960; Kittel, ...
