A5062005116- Molecular Spectroscopy and Structure
- Atmospheric Ozone and Climate
- Astrophysics and Star Formation Studies
- Advanced Chemical Physics Studies
- Spectroscopy and Laser Applications
- Corrosion Behavior and Inhibition
- Analytical Chemistry and Chromatography
- Stellar, planetary, and galactic studies
- Molecular spectroscopy and chirality
- Various Chemistry Research Topics
- Atomic and Molecular Physics
- Carbohydrate Chemistry and Synthesis
- Gas Sensing Nanomaterials and Sensors
- Astro and Planetary Science
- Inorganic Fluorides and Related Compounds
- Atmospheric chemistry and aerosols
- Astronomical Observations and Instrumentation
- Particle accelerators and beam dynamics
- Hydrogen embrittlement and corrosion behaviors in metals
- Advanced Chemical Sensor Technologies
- Fluorine in Organic Chemistry
- Concrete Corrosion and Durability
- Mass Spectrometry Techniques and Applications
- Quantum, superfluid, helium dynamics
- Transition Metal Oxide Nanomaterials
Instituto de Física Fundamental
2019-2025
Consejo Superior de Investigaciones Científicas
2014-2024
National Yang Ming Chiao Tung University
2016-2022
Universidad de Huelva
2020
Universidad de Valladolid
2009-2019
Instituto de Estructura de la Materia
2019
Yebes Observatory
2019
Spanish National Observatory
2019
Georgia State University
2019
Instituto de Química Física Blas Cabrera
2019
We report the detection for first time in space of three new pure hydrocarbon cycles TMC-1:
We report the detection, for first time in space, of a new non-functionalised hydrocarbon cycle direction TMC-1: o -C 6 H 4 (ortho-benzyne). derive column density this (5.0 ± 1.0) × 10 11 cm −2 . The abundance species is around 30 times lower than that cyclopentadiene and indene. compare benzyne with other pure hydrocarbons, cycles or chains, find it could be formed from neutral-radical reactions such as C 2 + CH CHCCH 5 , possibly through 3 CCH Hence, rich content observed TMC-1 arise...
Accurate structures of aminoacids in the gas phase have been obtained by joint microwave and quantum-chemical investigations. However, structure conformational behavior α-aminoacids once incorporated into peptide chains are completely different not yet characterized with same accuracy. To fill this gap, we present here an accurate characterization simplest dipeptide analogue (N-acetyl-glycinamide) involving peptidic bonds. State-of-the-art computations complemented a comprehensive study...
We report the detection of sulfur-bearing species NCS, HCCS, H
We present the first identification in interstellar space of propargyl radical (CH
We report the detection of two isomers ethynyl cyclopentadiene ( c -C 5 H CCH), namely 1- and 2-ethynyl-1,3-cyclopentadiene, in direction TMC-1. derive column densities (1.4 ± 0.2) × 10 12 cm −2 (2.0 0.4) , respectively, for these derivatives, which imply that they are about ten times less abundant than cyclopentadiene. also tentative benzene (C 6 we estimate a density (2.5 . derived abundances corresponding cyano derivatives found values significantly lower previously reported. The...
We report the detection of fulvenallene ($c$-C$_5$H$_4$CCH$_2$) in direction TMC-1 with QUIJOTE line survey. Thirty rotational transitions $K_a$=0,1,2,3 and $J$=9-15 were detected. The best temperature fitting data is 9\,K a derived column density (2.7$\pm$0.3)$\times$10$^{12}$ cm$^{-2}$, which only factor 4.4 below that its potential precursor cyclopentadiene ($c$-C$_5$H$_6$), 1.4--1.9 times higher than ethynyl derivatives cyclopentadiene. searched for fulvene ($c$-C$_5$H$_4$CH$_2$), CH$_2$...
We report on the discovery of C 7 N − anion towards starless core TMC-1 and carbon-rich evolved star IRC +10216. used data QUIJOTE ( Q -band Ultrasensitive Inspection Journey to Obscure Environment) line survey found six lines in perfect harmonic frequency relation from J = 27 26 up 32 31. The can be reproduced with a rotational constant distortion B 582.68490 ± 0.00024 MHz D 4.01 0.13 Hz, respectively. standard deviation fit is 4 kHz. Towards +10216, we identify 17 43 42; their frequencies...
We found four series of harmonically related lines in IRC +10216 with the Yebes 40 m and IRAM 30 telescopes. The first corresponds to a molecule rotational constant, B , 1448.5994±0.0013 MHz distortion D 63.45±1.15 Hz covers upper quantum numbers from J u = 11 up 33 (B1449). second is fitted 1446.9380±0.0098 91±23 17 (B1447). third 598.7495±0.0011 6.13±0.43 26 41 (B599). Finally, frequencies last can be reproduced 594.3176±0.0026 4.92±1.16 (B594). large values point toward metal-bearing...
We present the first detection of HCNS (thiofulminic acid) in space with QUIJOTE line survey direction TMC-1. performed a complete study isomers CHNS and CHNO, including NCO NCS. The derived column densities for HCNS, HNCS, HSCN are (9.0+/-0.5)e9, (3.2+/-0.1)e11, (8.3+/-0.4)e11 cm-2, respectively. HNCS/HSCN abundance ratio is 0.38. ratios HNCO/HNCS, HCNO/HCNS, HOCN/HSCN, NCO/NCS 34+/-4, 8.3+/-0.7, 0.18+/-0.03, 0.78+/-0.07, These cannot be correctly reproduced by our gas-phase chemical...
In recent years, the chemistry of sulfur in interstellar medium has experienced renewed interest due to detection a large variety molecules containing sulfur. We report first identification space new S-bearing molecule, thioacetaldehyde (CH_3CHS), which is counterpart acetaldehyde (CH_3CHO). The astronomical observations are part QUIJOTE, Yebes,40m Q-band line survey cold dense cloud TMC-1 . detected seven individual lines corresponding A and E components four most favorable rotational...
The conformational behaviour of isolated D-glucose has been revealed in this work using Fourier transform microwave spectroscopy coupled with laser ablation crystalline α- and β-glucopyranose samples. Four conformers α-D-glucopyranose three β-D-glucopyranose have unequivocally identified on the basis spectroscopic rotational parameters conjunction ab initio predictions. Stereoelectronic hyperconjugative factors, like those associated anomeric or gauche effects, as well cooperative OH⋯O...
The computational composite scheme purposely set up for accurately describing the electronic structure and spectroscopic properties of small biomolecules has been applied to first study rotational spectrum 2-thiouracil. experimental investigation was made possible thanks combination laser ablation technique with Fourier transform microwave spectrometers. joint experimental–computational allowed us determine accurate molecular title molecule, but more importantly, it demonstrates a reliable...
We report on the detection of hydromagnesium isocyanide, HMgNC, in laboratory and carbon-rich evolved star IRC+10216. The J = 1–0 2–1 lines were observed our microwave equipment Valladolid with a spectral accuracy 3 KHz. hyperfine structure produced by nitrogen atom was resolved for both transitions. derived rotational constants from data are B0 5481.4333(6) MHz, D0 2.90(8) KHz, eQq(N) −2.200(2) MHz. predicted frequencies transitions HMgNC millimeter domain have an 0.2–0.7 Four this species,...
We present a study of the isocyano isomers cyanopolyynes HC3N, HC5N, and HC7N in TMC-1 IRC+10216 carried out with Yebes 40m radio telescope. This has enabled us to report detection, for first time space, HCCCCNC give upper limits HC6NC same source. In addition, deuterated isotopologues HCCNC HNCCC were detected, along all 13C substitutions HCCNC, also space. The abundance ratios HC3N their isomers, are very different IRC+10216, namely, N(HC5N)/N(HC4NC) is 300 >2100, respectively. discuss...
We report on the first detection of C
We report on the detection of two series harmonically related doublets in IRC +10216. From observed frequencies, rotational constant first is B = 1380.888 MHz and that second 1381.512 MHz. The correspond to species with a 2 Σ electronic ground state. After considering all possible candidates, based quantum chemical calculations, assigned MgC 3 N 4 H. For latter species, optical spectroscopy measurements support its identification. Unlike diatomic metal-containing molecules, line profiles new...
We report the detection in TMC-1 of protonated form C3S. The discovery cation HC3S+ was carried through observation four harmonically related lines Q band using Yebes 40m radiotelescope, and is supported by accurate ab initio calculations laboratory measurements its rotational spectrum. derive a column density N(HC3S+) = (2.0 +/- 0.5)e11 cm-2, which translates to an abundance ratio C3S/HC3S+ 65 20. This comparable CS/HCS+ (35 8) factor about ten larger than C3O/HC3O+ previously found same...
We report the detection of oxygen-bearing complex organic molecules propenal (C
Using the Yebes 40m and IRAM 30m radiotelescopes, we detected two series of harmonically related lines in space that can be fitted to a symmetric rotor. The have been seen towards cold dense cores TMC-1, L483, L1527, L1544. High level theory
We report the discovery of C 5 H + cation toward TMC-1 with QUIJOTE line survey. Four lines from J = 7 − 6 up to 10 9 have been identified in perfect harmonic frequency relation that can be fit B 2411.94397 ± 0.00055 MHz and D 138 3 Hz. The standard deviation is 4.4 kHz. After discarding potential candidates, among them, we conclude carrier , for which accurate ab initio calculations provide 2410.3 MHz. also first time a cold starless core detection cation. column densities derive are (8.8...
Based on a novel laboratory method, 14 mm-wave lines of the molecular ion H$_2$CCCH$^+$ have been measured in high resolution, and spectroscopic constants this asymmetric rotor determined with accuracy. Using Yebes 40 m IRAM 30 radio telescopes, we detect four towards cold dense core TMC-1. With dipole moment about 0.55 Debye obtained from high-level ab initio calculations, derive column density 5.4$\pm$1$\times$10$^{11}$ cm$^{-2}$ 1.6$\pm$0.5$\times$10$^{11}$ for ortho para species,...
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...
We report the first detection in space of a complete sample nine doubly substituted isotopologues HCCCN towards cyanopolyyne peak TMC-1 using observations QUIJOTE line survey taken with Yebes 40 m telescope. detected D13CCCN, DC13CCN, DCC13CN, DCCC15N, H13C13CCN, H13CC13CN, HC13C13CN, HCC13C15N, and HC13CC15N through their J=4-3 J=5-4 lines 7 mm window. In addition, we present an extensive analysis emission its singly large velocity gradient model at 3 IRAM 30 telescopes, respectively. The...
We report the discovery in TMC-1 of two cyano derivatives PAH acenaphthylene (C 12 H 8 ). have found series lines with QUIJOTE line survey that we assign to 1-C 7 CN and 5-C CN. For 1-isomer, detected assigned 173 rotational transitions J up 46 K a 9, corresponding 107 independent frequencies. 5-isomer, identification is based on 56 individual lines, 117 40 8. Identification carriers was achieved through careful analysis derived constants, which permit us focus molecules larger than...