A5045455320- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Supramolecular Chemistry and Complexes
- Synthesis and Properties of Aromatic Compounds
- Integrated Circuits and Semiconductor Failure Analysis
- Molecular Sensors and Ion Detection
- Advancements in Photolithography Techniques
- Industrial Vision Systems and Defect Detection
- Luminescence and Fluorescent Materials
- Magnetism in coordination complexes
- Electron and X-Ray Spectroscopy Techniques
- Facility Location and Emergency Management
- Porphyrin and Phthalocyanine Chemistry
- Chemical Synthesis and Analysis
- Metal-Organic Frameworks: Synthesis and Applications
- Fullerene Chemistry and Applications
- Vehicle Routing Optimization Methods
- Crystallography and molecular interactions
- Urban and Freight Transport Logistics
- Photochromic and Fluorescence Chemistry
- Optimization and Mathematical Programming
- Supramolecular Self-Assembly in Materials
- Advanced Optimization Algorithms Research
- Chemical Synthesis and Reactions
- Molecular spectroscopy and chirality
Universidad de Granada
2016-2025
IMEC
2017-2024
Wisconsin Institutes for Discovery
2023
University of Wisconsin–Madison
2023
Acciona (Spain)
2016
University of Manchester
2013-2015
University of Edinburgh
2012-2014
Universidade da Coruña
2007-2013
Switch it on! The activity of an organocatalytic group incorporated within a rotaxane architecture can be controlled by switching the position macrocycle. system was used to mediate progress Michael addition aliphatic thiol trans-cinnamaldehyde.
A rotaxane-based switchable asymmetric organocatalyst has been synthesized in which the change of position macrocycle reveals or conceals an acyclic, yet still highly effective, chiral organocatalytic group. This allows control over both rate and stereochemical outcome a catalyzed Michael addition.
A rotaxane-based molecular shuttle has been synthesized in which the switching of position a fluorescent macrocycle on thread turns "on" or "off" circularly polarized luminescence (CPL) system while maintaining similar fluorescence profiles and quantum yields both states. The chiroptical activity relies chiral information transfer from an ammonium salt incorporating d- l-phenylalanine residues as stereogenic covalent units to otherwise achiral crown ether bearing luminescent 2,2′-bipyrene...
Including defects in a ribbon-shaped nanographene leads to new combination of optical properties: TPA-based upconversion and CPL.
The activation mode of a rotaxane-based organocatalyst with both secondary amine and squaramide catalytic units can be switched acid or base. macrocycle blocks whichever the sites it is positioned over. switchable rotaxane catalyst generates different products from mixture three building according to location macrocyclic ring in rotaxane.
The reactivity of a rotaxane that acts as an aminocatalyst for the functionalization carbonyl compounds through HOMO and LUMO activation pathways has been studied. Its catalytic activity is explored C–C C–S bond forming reactions iminium catalysis, in nucleophilic substitutions additions enamine intermediates, Diels–Alder via trienamine tandem iminium-ion/enamine reaction. catalyst can be switched "on" or "off", effectively controlling rate all these chemical transformations, by situ change...
Abstract We report a new family of hexa‐ peri ‐hexabenzocoronene (HBC)‐based helical nanographenes incorporating π‐extended carbo[5]helicenes bearing an octagonal carbocycle. This represents kind highly distorted saddle‐helix hybrid nanographenes. For the first time, eight‐membered ring becomes constituent both carbo[5]helicene and HBC thus, negative curvature is responsible for twisting units. novel chiral motif, namely, oct‐[5]helicene results in largest torsion angle recorded so far ( θ...
We report the synthesis and characterization of a novel type nanohoop, consisting cycloparaphenylene derivative incorporating curved heptagon-containing π-extended polycyclic aromatic hydrocarbon (PAH) unit. demonstrate that this new macrocycle behaves as supramolecular receptor π-systems such fullerenes C60 C70 , with remarkably large binding constants (ca. 107 M-1 ), estimated by fluorescence measurements. Nanosecond femtosecond spectroscopic analysis show these host-guest complexes are...
The synthesis and the crystal structure of a doubly braided [2]catenane, new molecular Solomon link, obtained by 5-component-self-assembly process based on coordinative bonds, π-donor/π-acceptor interactions, hydrogen bonding is reported.
It is estimated that more than 90% of the 5.2 million kilometers European paved roads and highways are surfaced with asphalt. Also, about 44% goods transported by road in EU; maintaining their condition whilst transit crucial for economy. The construction a new has number implications environment, consuming large amount materials energy. price crude oil, which major source bituminous binder, significantly increased recent years (the most noticeably 2001–2008). This led to an increase total...
A new family of chiral saddle-helix hybrid nanographenes is reported. The first hexa-peri-hexabenzocoronene (HBC) analogues bearing a nine-membered carbocycle are presented. Furthermore, for the time, π-extended carbo[n]helicenes containing ring as part helical moiety have been synthesized. combination [5]helicene and nonagon in single motif induces tremendous distortion from planarity into nanographenic structures compared to other hybrids such heptagon- octagon-containing...
Dinuclear square metallocycles 3a,b assemble spontaneously when M(en)(OTf)2 (M = Pd, Pt) and a 4,4'-bipyridinium ligand are mixed in acetonitrile. Six new [3]catenanes were prepared good yields by thermodynamically driven self-assembly reaction of molecular squares π-complementary dioxoaryl cyclophanes. Single-crystal X-ray analyses the revealed insertion two aromatic units inside metallocycle cavity. The structures stabilized means combination π−π stacking, [C−H···π] interactions, [C−H···O]...
A bidentate ligand based on N-monoaryl 4,4′-bipyridinium undergoes self-assembly to dinuclear rectangular metallocycles upon coordination palladium(II) and platinum(II) centers. These form a very stable complex with pyrene in aqueous solution the solid state. crystal structure of inclusion is presented. The association constants between metallocycle 3a organic solvents water (Ka = 2.3 × 106) were determined.
Here we describe a new class of CPL switches based on oxophilic interactions between chiral sulfoxide-containing ortho-phenylene ethynylene (o-OPE) foldamers and cationic metals. These systems represent unique case combining high glum values (up to 0.7 × 10-2) quantum yields in both folded ON unfolded OFF states.
Intrinsically chiral double stapled ortho-oligo phenylene ethynylenes (o-OPEs) 1 show glum values up to 5.5 × 10-2, the second highest value ever observed for a simple organic molecule (SOM). DFT calculations of molecular spectra and properties encompassing electric magnetic dipole transition moments account these observations.
Here, we report an approach to the synthesis of highly charged enantiopure cyclophanes by insertion axially chiral enantiomeric binaphthyl fluorophores into constitutions pyridinium-based macrocycles. Remarkably, these fluorescent tetracationic exhibit a significant AIE compared their neutral optically active precursors. A combination theoretical calculations and time-resolved spectroscopy reveal that originates from limited torsional vibrations associated with axes chirality present in...
The insertion of phenyl acetylenes at the reactive positions indeno[1,2- b ]fluorene leads to tune its optoelectronic and magnetic properties. Furthermore, single-molecule conductance has been investigated for first time.
New palladium and platinum metallacycles have been synthesized by reaction between a 2,7-diazapyrenium-based ligand Pd(II) Pt(II) complexes. The inclusion complexes the polycyclic aromatic hydrocarbons (PAHs) in CD(3)NO(2) D(2)O were studied NMR spectroscopy. structures of Pt metallacycle as host with pyrene, phenanthrene, triphenylene confirmed single crystal X-ray crystallography. association constants selected PAHs determined CH(3)CN following characteristic charge-transfer band displayed...
We report on the design, synthesis, and operation of a bimetallic molecular biped three-foothold track. The "walker" features palladium(II) complex "foot" that can be selectively stepped between 4-dimethylaminopyridine pyridine ligand sites track via reversible protonation while walker remains attached to throughout by means kinetically inert platinum(II) foot. substitution pattern three binding sites, together with kinetic stability metal-ligand coordination bonds, affords two positional...
We present herein the development of a new polycationic molecular receptor, inspired by ubiquitous cyclobis(paraquat-p-phenylene)cyclophane ("blue box"). Our analogue, "white box", has been easily self-assembled on preparative scale in water, using template-assisted process acyl hydrazone bonding complementary bis(pyridinium)xylylene tweezers, followed kinetic trapping empty receptor. The obtained macrocycle was found to display marked pH responsiveness because an abnormal acidity amide...
Abstract A cyclophane is reported incorporating two units of a heptagon‐containing extended polycyclic aromatic hydrocarbon (PAH) analogue the hexa‐ peri ‐hexabenzocoronene (HBC) moiety (hept‐HBC). This represents new class macrocyclic structures that incorporate for first time seven‐membered rings within PAH frameworks. The saddle curvature hept‐HBC macrocycle induced by presence nonhexagonal ring along with flexible alkyl linkers generate cavity shape complementarity and appropriate size...
The mechanism of self-assembly amphiphilic short peptides has been studied in detail by the combination multiparametric FLIM microscopy and single-molecule FLCS.
We report the synthesis and study of optoelectronic, magnetic, chiroptical properties a helically chiral diradicaloid based on dibenzoindeno[2,1-c]fluorene. The molecule shows small HOMO–LUMO gap moderate singlet–triplet gap, which agrees with results DFT calculations. helical structure compound, confirmed by X-ray diffraction, is configurationally stable, allows isolation both enantiomers evaluation (ECD).