A5071275239- Molecular Spectroscopy and Structure
- Advanced Chemical Physics Studies
- Atmospheric Ozone and Climate
- Mass Spectrometry Techniques and Applications
- Astrophysics and Star Formation Studies
- Laser-Matter Interactions and Applications
- Atomic and Molecular Physics
- Spectroscopy and Laser Applications
- Quantum, superfluid, helium dynamics
- Various Chemistry Research Topics
- Molecular spectroscopy and chirality
- Chemical Reactions and Mechanisms
- Analytical Chemistry and Chromatography
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Molecular Junctions and Nanostructures
- Ion-surface interactions and analysis
- Astro and Planetary Science
- Olfactory and Sensory Function Studies
- Microwave-Assisted Synthesis and Applications
- Nonlinear Optical Materials Research
- Fluorine in Organic Chemistry
- Spectroscopy and Quantum Chemical Studies
- Laser Design and Applications
- Laser-induced spectroscopy and plasma
- Electrohydrodynamics and Fluid Dynamics
King's College London
2015-2024
Deutsches Elektronen-Synchrotron DESY
2018-2024
Kiel University
2022
Furman University
2019
College of Charleston
2019
Max Planck Institute for the Structure and Dynamics of Matter
2018
Hamburg Centre for Ultrafast Imaging
2018
Transnational Press London
2015
University of Bologna
2013
Abstract Polycyclic aromatic hydrocarbons (PAHs) play an important role in interstellar chemistry and are subject to high energy photons that can induce excitation, ionization, fragmentation. Previous studies have demonstrated electronic relaxation of parent PAH monocations over 10–100 femtoseconds as a result beyond-Born-Oppenheimer coupling between the nuclear dynamics. Here, we investigate three molecules: fluorene, phenanthrene, pyrene, using ultrafast XUV IR laser pulses. Simultaneous...
Aims. We investigate the outcome of an electrical discharge naphthalene and search for resulting products in Taurus Molecular Cloud (TMC-1). Methods. Using chirped pulse Fourier transform microwave spectroscopy paired with electric source, we investigated from discharge. Quantum chemical calculations were used to help assign species potential reaction pathways relevant interstellar medium. These searched TMC-1 using QUIJOTE line survey, covering 31.0-50.3 GHz. Results. confirm detection...
The bicyclic terpenoid fenchone (C10H16O, 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one) has been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency region. parent species and all heavy atom isotopologues have observed their natural abundance. experimental rotational constants of isotopic determined used to obtain substitution (rs) effective (r0) structures fenchone. Calculations at B3LYP, M06-2X, MP2 levels theory with different basis sets were...
Insight into the arrangements of water molecules around solutes is important to understand how solvation proceeds and build reliable models describe water-solute interactions. We report stepwise fenchone, a biogenic ketone, with 4-7 molecules. Multiple hydrates were observed using broadband rotational spectroscopy, configurations four fenchone-(H
The influence of a nitrogen atom in the backbone PAH was revealed by hydrated clusters phenanthrene and phenanthridine rotational spectroscopy study. Background image credit: NASA, ESA, Hubble Heritage Team (STScI/AURA) – ESA/Hubble Collaboration.
Quantum tunneling is a fundamental phenomenon that plays pivotal role in the motion and interaction of atoms molecules. In particular, its influence between water molecules carbon surfaces can have significant implications for multitude fields ranging from atmospheric chemistry to separation technologies. Here, we unveil at molecular level complex dynamics single molecule on planar surface polycyclic aromatic hydrocarbon phenanthrene, which was used as small-scale surface-like model. this...
The interaction of water and polycyclic aromatic hydrocarbons is fundamental importance in areas as diverse materials science atmospheric interstellar chemistry. interplay between hydrogen bonding dipole-π interactions results subtle dynamics that are challenging to describe from first principles. Here, we employ far-IR action vibrational spectroscopy with the infrared free-electron laser FELIX investigate naphthalene one three molecules. We observe diffuse bands associated intermolecular...
Limonene is an abundant monoterpene in the atmosphere and one of main precursors secondary organic aerosol. Understanding its interactions with atmospheric molecules crucial to explain aerosol formation various products obtained from competing reaction pathways. Here, using broadband rotational spectroscopy combination computational calculations, we show that limonene effectively interacts water, forming a variety complexes. Seven different isomers limonene–H2O, where water are connected by...
The Fourier transform microwave investigation of C6H6-DCF3 outlines a shortening the distance between two constituent molecules about 0.0044(2) Å upon H → D substitution hydrogen atom involved in C-H···π bond. This proves that Ubbelohde effect takes place also within weak bonding. measure spectra several (13)C isotopologues natural abundance has been useful to obtain structural information.
We report on the microwave spectra of water adducts fenchone. In particular, we were able to observe spectral signatures three trihydrates
We investigated the dissociation of dications and trications three polycyclic aromatic hydrocarbons (PAHs), fluorene, phenanthrene, pyrene. PAHs are a family molecules ubiquitous in space involved much chemistry interstellar medium. In our experiments, ions formed by interaction with 30.3 nm extreme ultraviolet (XUV) photons, their velocity map images recorded using PImMS2 multi-mass imaging sensor. Application recoil-frame covariance analysis allows total kinetic energy release (TKER)...
Monoterpenoids are biogenic volatile organic compounds that play a major role in atmospheric chemistry by participating the formation of aerosols. In this work, monoterpenoid (R)-(+)-limonene oxide (C10 H16 O) was characterized gas phase Fourier-transform microwave spectroscopy supersonic jet. Five conformers limonene oxide, four equatorial and one axial considering configuration isopropenyl group, were unambiguously identified from analysis rotational spectrum. The observed include cis...
We report on the use of extreme ultraviolet (XUV, 30.3 nm) radiation from Free-electron LASer in Hamburg (FLASH) and visible (Vis, 405 photons an optical laser to investigate relaxation fragmentation dynamics fluorene ions. The ultrashort pulses allow resolve molecular processes occurring femtosecond timescales. Fluorene is a prototypical small polycyclic aromatic hydrocarbon (PAH). Through their infrared emission signature, PAHs have been shown be ubiquitous universe, they are assumed play...
Intramolecular non-covalent interactions determine the conformational preferences of many molecules, and their understanding is relevant for a proper description molecular structure. Here, by using rotational spectroscopy in combination with quantum chemistry calculations, we show that intramolecular dispersion forces involving three-carbon substituent influence relative energies landscape three monoterpenoids carvone, limonene perillaldehyde. New equatorial axial conformers have been...
To aid the interstellar search for OPAHs and gain insights into their microsolvation, we investigated xanthene its hydrated clusters with up to four water molecules using IR-UV ion dip broadband rotational spectroscopy.
The intramolecular interactions in the lipid sphingosine have been elucidated through investigation of amino alcohol serinol which mimics its polar headgroup. Intricate networks hydrogen bonds involving hydroxyl groups and group contribute to stabilisation five different conformations observed broadband rotational spectrum.
New atomic-level experimental data on the intermolecular non-covalent interactions between a common odorant and relevant residue at binding sites are reported. The preferred arrangements of fenchone, ethanol, mimic serine's side chain, have been unambiguously identified using combination high resolution rotational spectroscopy computational methods. observed conformers include homochiral (RR) heterochiral (RS) conformers, with slight preference for form, exhibit primary OH-O hydrogen bonds...
Benzenesulfonamides are a class of molecules extreme interest in the biochemical field because many them active against variety diseases. In this work, pharmacophoric group benzensulfonamide, its derivatives para-toluensulfonamide and ortho-toluensulfonamide, bioactive molecule sulfanilamide, were investigated using rotational spectroscopy to determine their conformations influence different substituents on structures. For all species, hyperfine structure due 14N atom was analyzed, provided...
The front cover artwork is provided by the groups of Prof. J.J. López-González (University Jaen, Spain), T.R. Huet Lille, France), and Dr. M.E. Sanz (King's College London, UK). image shows five lower-energy conformers limonene oxide, a molecule atmospheric interest, identified microwave spectroscopy. Read full text article at 10.1002/cphc.201600991.
We present an investigation of the ultrafast dynamics polycyclic aromatic hydrocarbon fluorene initiated by intense femtosecond near-infrared laser pulse (810 nm) and probed a weak visible (405 nm).
We present an investigation of the ultrafast dynamics polycyclic aromatic hydrocarbon fluorene initiated by intense femtosecond near- infrared laser pulse (810 nm) and probed a weak visible (405 nm). Using multichannel detection scheme (mass spectra, electron ion velocity-map imaging), we provide full disentanglement complex vibronically excited parent molecule, its ionic states, fragments. observed various channels resulting from strong-field ionization regime. In particular, formation...
We present an investigation of the ultrafast dynamics polycyclic aromatic hydrocarbon fluorene initiated by intense femtosecond near- infrared laser pulse (810 nm) and probed a weak visible (405 nm). Using multichannel detection scheme (mass spectra, electron ion velocity-map imaging), we provide full disentanglement complex vibronically excited parent molecule, its ionic states, fragments. observed various channels resulting from strong-field ionization regime. In particular, formation...