Jan Patrick Calupitan

ORCID: 0000-0003-3044-2603
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About
Contact & Profiles
Research Areas
  • Surface Chemistry and Catalysis
  • Molecular Junctions and Nanostructures
  • Photochromic and Fluorescence Chemistry
  • Graphene research and applications
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Luminescence and Fluorescent Materials
  • Photoreceptor and optogenetics research
  • Fullerene Chemistry and Applications
  • Quantum and electron transport phenomena
  • Radical Photochemical Reactions
  • Nanocluster Synthesis and Applications
  • Organic Chemistry Cycloaddition Reactions
  • Polydiacetylene-based materials and applications
  • Synthesis and Properties of Aromatic Compounds
  • Gold and Silver Nanoparticles Synthesis and Applications
  • Organic Light-Emitting Diodes Research
  • Neutrino Physics Research
  • Force Microscopy Techniques and Applications
  • Advanced Nanomaterials in Catalysis
  • Molecular Sensors and Ion Detection
  • Crystallography and molecular interactions
  • Carbon Nanotubes in Composites
  • Silicone and Siloxane Chemistry
  • Pigment Synthesis and Properties

Material Physics Center
2022-2025

Centre National de la Recherche Scientifique
2016-2024

Institut Parisien de Chimie Moléculaire
2023-2024

Sorbonne Université
2023-2024

Donostia International Physics Center
2023

University of the Basque Country
2023

Université Paris-Saclay
2020-2022

Nara Institute of Science and Technology
2016-2021

Centre d’Élaboration de Matériaux et d’Études Structurales
2016-2021

Université de Toulouse
2016-2020

Nitrogen heteroatom doping into a triangulene molecule allows tuning its magnetic state. However, the synthesis of nitrogen-doped (aza-triangulene) has been challenging. Herein, we report successful aza-triangulene on Au(111) and Ag(111) surfaces, along with their characterizations by scanning tunneling microscopy spectroscopy in combination density functional theory (DFT) calculations. Aza-triangulenes were obtained reducing ketone-substituted precursors. Exposure to atomic hydrogen...

10.1021/jacs.1c12618 article EN cc-by Journal of the American Chemical Society 2022-03-07

Abstract Synthetic molecular machines designed to operate on materials surfaces can convert energy into motion and they may be useful incorporate solid state devices. Here, we develop characterize a multi-component propeller that enables unidirectional rotations material surface when energized. Our is composed of rotator with three blades linked via ruthenium atom ratchet-shaped gear. Upon adsorption gold crystal surface, the two dimensional nature breaks symmetry left or right tilting...

10.1038/s41467-019-11737-1 article EN cc-by Nature Communications 2019-08-20

The development of functional organic molecules requires structures increasing size and complexity, which are typically obtained by the covalent coupling smaller building blocks. Herein, with aid high-resolution scanning tunneling microscopy/spectroscopy density theory, a sterically demanded pentacene derivative on Au(111) into fused dimers connected non-benzenoid rings was studied. diradical character products tuned according to section. In particular, antiaromaticity cyclobutadiene as...

10.1021/jacs.3c02027 article EN cc-by Journal of the American Chemical Society 2023-04-26

Triangulenes are a class of open-shell triangular graphene flakes with total spin increasing their size. In the last years, on-surface-synthesis strategies have permitted fabricating and engineering triangulenes various sizes structures atomic precision. However, direct proof size remains elusive. this work, we report combined in-solution on-surface synthesis large nitrogen-doped triangulene (aza-[5]-triangulene) on Au(111) surface, detection its high-spin ground state. Bond-resolved...

10.1002/anie.202307884 article EN cc-by-nc-nd Angewandte Chemie International Edition 2023-08-22

On-surface synthesis has paved the way toward fabrication and characterization of conjugated carbon-based molecular materials that exhibit π-magnetism such as triangulenes. Aza-triangulene, a nitrogen-substituted derivative, was recently shown to display rich on-surface chemistry, offering an ideal platform investigate structure-property relations regarding spin-selective charge transfer magnetic fingerprints. Herein, we study electronic changes upon fusion single molecules into larger...

10.1021/acs.nanolett.3c02586 article EN cc-by Nano Letters 2023-10-23

We report the surface‐assisted synthesis of a non‐planar cyclophenylene derivative containing four meta‐ and two para‐ connected phenylene moieties on Au(111), via hierarchical Ullmann coupling 1,10‐dibrominated angular [3]phenylene subsequent C–C bond cleavage at four‐membered rings. Scanning tunneling microscopy spectroscopy (STM/STS) were used for characterization its chemical structure electronic properties. Density functional theory (DFT) calculations support experimental observations.

10.1002/chem.202404256 article EN Chemistry - A European Journal 2025-01-26

Abstract A series of simple donor–acceptor molecules consisting an oligo‐oxyethylene (OOE) N ‐substituted diphenylamine connected to a dicyanovinyl (DCV) acceptor group by thienyl π‐conjugating spacer are synthesized. Amorphous deep‐red freshly cast thin films rapidly evolve towards almost colorless pale beige poly‐crystalline stable material from which photoluminescent state can be switched‐on mechanical stimulation. The effects the length OOE chain on molecular packing and dynamics...

10.1002/adom.202000420 article EN Advanced Optical Materials 2020-05-04

In this paper, we present a novel concept for “smarter” photolabile organic compounds combining not one but two caged functions. As proof of principle, diarylethene-based compound possesses inhibited chemical groups (OMe and OAc) its efficient release in different solvents is reported. low- to medium-polarity media, both MeOH AcOH are released, with slight preferential uncaging except 1,4-dioxane, where preferentially released. contrast, DMSO or DMF render strongly dominating. DFT...

10.1021/acs.joc.6b02256 article EN The Journal of Organic Chemistry 2016-10-14

We report herein a dramatic improvement in the kinetics and efficiency of an oxidative cycloreversion reaction photochromic dithiazolylthiazoles. The colored isomer dithiazolylthiazole proceeds not only by photo-irradiation, but also through chemical oxidation with net far exceeding 100 % owing to chain mechanism. By introducing aromatic groups on reactive carbon atoms at ends photoreactive 6π system dithiazolylthiazole, bleaching rates were increased up 1300-fold, turnover two orders...

10.1002/chem.201600708 article EN Chemistry - A European Journal 2016-07-06

If neutrinos are their own antiparticles the otherwise-forbidden nuclear reaction known as neutrinoless double beta decay can occur. The very long lifetime expected for these exceptional events makes its detection a daunting task. In order to conduct an almost background-free experiment, NEXT collaboration is investigating novel synthetic molecular sensors that may capture Ba dication produced in of certain Xe isotopes high-pressure gas experiment. use such detectors immobilized on surfaces...

10.1038/s41467-022-35153-0 article EN cc-by Nature Communications 2022-12-14

<bold>Boosted phosphorescence</bold>: minor structural changes drastically improve the photoluminescence properties of these new rhenium complexes <italic>vs.</italic> parent compound.

10.1039/c9dt02786f article EN Dalton Transactions 2019-01-01

Terarylene frameworks containing benzothiazole as a photoprecursor of hydride donors are presented. We here report on two new scaffolds along with their photoreactivity in solution. Through use selected external oxidants, the photogeneration is monitored using UV–visible, NMR, and TEM methods. As proof-of-concept, presence Ag+ gave rise to formation Ag nanoparticles.

10.1021/acs.joc.8b01877 article EN The Journal of Organic Chemistry 2018-10-08

Abstract Mechanoresponsive luminescence (MRL) materials promise smart devices for sensing, optoelectronics and security. We present here the first report on MRL activity of two Re I complexes, opening up new opportunities applications in these fields. Both complexes exhibit marked solid‐state enhancement (SLE). Furthermore, pristine microcrystalline powders emit yellow‐green region, grinding led to an amorphous phase with concomitant emission redshift shrinking photoluminescence (PL) quantum...

10.1002/chem.202005245 article EN Chemistry - A European Journal 2020-12-11

Activating the strong C-C σ-bond is a central problem in organic synthesis. Directly generating activated C centers by metalation of structures containing strained four-membered rings one maneuver often employed multistep syntheses. This usually requires high temperatures and/or precious transition metals. In this paper, we report an unprecedented activation at room temperature on Cu(111). By using bond-resolving scanning probe microscopy, show breaking σ-bonds biphenylene derivative,...

10.1021/acs.jpclett.2c03346 article EN cc-by The Journal of Physical Chemistry Letters 2023-01-23

New photochromic terarylene displays extremely high photosensitivity with quantum yield as 3300% and radio-sensitivity to X-ray dose weak 0.3 mGy.

10.1039/c9sc05380h article EN cc-by-nc Chemical Science 2020-01-01

Photochromic molecules display reversible isomerization reactions between two isomers accompanied by an exchange heat and chemical potential. A considerable part of the absorbed light energy is stored in released from present E-type photochromic molecules, which undergo cyclization under UV excitation backward after application oxidative stimuli. The nature, thermal stability, cascade ring-opening reaction closed form eight terarylenes are studied, storage efficiencies at a single...

10.1021/acs.jpclett.1c03052 article EN The Journal of Physical Chemistry Letters 2021-11-17

Abstract Among the multiple classes of mechanofluorochromic (MFC) compounds reported in recent years, simple donor–acceptor molecules involving oligooxyethylene N ‐substituted diphenylamine connected to a dicyanovinyl group by thienyl spacer constitute specific class mechano‐stimulable smart materials with unique combination properties including turn‐on mechanofluorochromism red‐light photoluminescence emission, turn‐off second harmonic generation, and self‐recovery ambient conditions. While...

10.1002/admi.202102246 article EN cc-by-nc-nd Advanced Materials Interfaces 2022-02-26

In the field of extreme miniaturization electronic devices, it is necessary to study candidate molecules at single‐molecular level by scanning tunneling microscopy (STM). This necessitates with specific functionalizations control molecule–surface and molecule–molecule interactions avoid molecular diffusion on surface prevent aggregation molecules, respectively. this context, we present synthesis photochromism terarylene derivatives tert ‐butyl chloride groups. We show that these groups...

10.1002/ejoc.201601657 article EN European Journal of Organic Chemistry 2017-02-24

Abstract Triangulenes are a class of open‐shell triangular graphene flakes with total spin increasing their size. In the last years, on‐surface‐synthesis strategies have permitted fabricating and engineering triangulenes various sizes structures atomic precision. However, direct proof size remains elusive. this work, we report combined in‐solution on‐surface synthesis large nitrogen‐doped triangulene (aza‐[5]‐triangulene) on Au(111) surface, detection its high‐spin ground state....

10.1002/ange.202307884 article EN cc-by-nc-nd Angewandte Chemie 2023-08-22

Abstract Starphenes are structurally appealing three‐fold symmetric polycyclic aromatic compounds with potential interesting applications in molecular electronics and nanotechnology. This family of star‐shaped polyarenes can be regarded as three acenes that connected through a single benzene ring. In fact, just like acenes, unsubstituted large starphenes poorly soluble highly reactive molecules under ambient conditions making their synthesis difficult to achieve. Herein, we report two...

10.1002/anie.202411861 article EN cc-by-nc-nd Angewandte Chemie International Edition 2024-08-07

Bottom-up approaches allow for molecular-level control of engineering new nanostructures. For next-generation molecular circuits, machines, and phase-change materials, supramolecular structure formation interactions must be investigated on a two-dimensional solid substrate. Scanning tunneling microscopy (STM) provides method not only to address such structures at the level surface but also locally manipulate structures. In this article, we show that terarylene molecule, subfamily...

10.1021/acs.jpcc.7b09370 article EN The Journal of Physical Chemistry C 2017-10-24

Clusters and oxo-clusters are drawing attention for their amazing physical properties, especially at the scale of single molecule. However, chemical methods to organize them individually on a surface still lacking. In this study we show that it is possible periodically individual polyoxometalates thanks ordering by new supramolecular assembly.

10.1039/d3nr02649c article EN Nanoscale 2023-01-01

Photoswitching materials are building blocks of next generation optoelectronic devices which may require molecule deposition on a solid substrate. However, properties change upon adsorption due to surface-molecule interactions and symmetry considerations. Scanning tunneling microscopy (STM) density functional theory (DFT) offer techniques address molecules down the single-molecular level substrates. In this paper, we present combined STM DFT study tert-butyl functionalized terarylene Ag(111)...

10.1021/acs.jpcc.7b11122 article EN The Journal of Physical Chemistry C 2018-02-05

We present results of electrowetting experiments employing droplets formed from aqueous suspensions Au nanoparticles. A planar system, consisting a Pt wire electrode and bottom Cu with an insulating silicone layer, is used to observe changes in droplet contact angle when external electric field applied. The equilibrium at 0 V decreases increasing nanoparticle concentration, dropping 100.4° for pure deionized water 94.7° 0.5 μ M nanofluid. Increasing the content also lowers required voltage...

10.1155/2017/2532173 article EN cc-by Advances in Materials Science and Engineering 2017-01-01
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