Nouveauté : Toutes les publications par laboratoires de l’UFR de chimie  regroupées
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I. Fikri, M. El Amraoui, M. Haddad, A. Saleh Ettahiri, C. Falguères, L. Bellot-Gurlet and al.

Raman and ATR-FTIR analyses of medieval wall paintings from al-Qarawiyyin in Fez (Morocco)

A multi-analytical study has been undertaken to characterise wall paintings from the al-Qarawiyyin university in Fez, dating back to the 9th century and still in activity, with the aim of identifying the pigments used and going back to the painting techniques adopted by the Moroccan craftsmen of the time...

Exporter la référence : DOI : 10.1016/j.saa.2022.121557
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A. Ceausu-Velcescu, L. Manceron, H. Beckers, P. Ghesquiere, P. Pracna

High-resolution infrared and millimeter-wave spectroscopy of CH35Cl3...

The v2=v6 = 1 (∼936.5 cm−1) vibrational level of chloroform CH35Cl3 has been studied for the first time by high-resolution FTIR and millimeter-wave spectroscopy. Like the v6 = 1 and v3=v6 = 1 vibrations, the v2=v6 = 1 level is characterized by an exceedingly small value of |C − B − Cζ| ≈ 2.88  × 10−3 cm−1. Hence, a global l(2,2) resonance connects the (k − 1, l6 = −1) and (k + 1, l6 = +1) sublevels. This quasi-generalized l(2,2) resonance is almost exclusively responsible of the appearance of the ν2 + ν6 combination band, with its Q-branches falling in a narrow region close to the band origin, together with its, partially resolved, clusters of K-lines on the P and R sides of the spectrum, for each value of J.

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P Soulard, B Tremblay

Vibrational study of acrylonitrile dimer and acrylonitrile-water hydrogen-bonded...

For the first time the experimental study of the complexation of acrylonitrile molecule (CH 3 =CHCN, noted AN) with water has been undertaken from a vibrational point of view as well as the homodimer (AN) 2 in solid neon from 80 to 6000 cm-1 using Fourier transform infrared spectroscopy...

Exporter la référence : DOI : 10.1016/j.molstruc.2022.133503
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M. Filomena Guerra, I. Tissot

New insight into Bronze Age goldwork from northern Portugal...

This work is the first analytical study carried out on a representative group of early gold objects found in the region of Vila Real, situated in one of the richest gold-bearing areas in the northwest of the Iberian Peninsula. The objects were examined by optical microscopy and mobile XRF in four museums...

Exporter la référence : DOI : 10.1016/j.jasrep.2022.103477
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A. Geoffroy-Neveux, V. Labet, M. E. Alikhani

Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine...

The double proton transfer (DPT) reaction between pyrazole and guanidine, a concerted reaction but strongly asynchronous and presenting a “plateau transition region”, has been theoretically reinvestigated in the presence of an external uniform electric field. First, we computed the reaction path by DFT and proposed a very detailed description of the constitutive electronic events, based on the ELF topology and the bond evolution theory...

Exporter la référence : DOI : 10.1021/acs.jpca.1c10553
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D. Jacquemart, O.M. Lyulin, A.M. Solodov, T.M. Petrova, A.A. Solodov.

The Q-branch of ν1+ν3+3ν4 band of 12C2H2 located at 8330 cm−1

The Q-branch of the ν1+ν3+3ν4 cold band of 12C2H2 located at 8330 cm−1 has been observed under one kilometer absorption path length. The analysis leads to a line list for this isolated and strong Q-branch that is missing from spectroscopic databases. This work completes the large update of acetylene data in the ΔP = 13 spectral region (8200 and 8900 cm−1) made in spectroscopic databases (HITRAN and GEISA) in 2020 edition.

Exporter la référence : DOI:10.1016/j.jqsrt.2022.108272
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M. Ibrahim, J.-C. Guillemin, P. Chaquin, A. Markovits, L. Krim

Formation of CO, CH4, H2CO and CH3CHO through the H2CCO + H surface reaction under interstellar conditions

The reaction of ketene (H2CCO) with hydrogen atoms has been studied under interstellar conditions through two different experimental methods, occurring on the surface and in the bulk of H2CCO ice. We show that ketene interaction with H-atoms at 10 K leads mainly to four reaction products, carbon monoxide (CO), methane (CH4), formaldehyde (H2CO) and acetaldehyde (CH3CHO)...

Exporter la référence : DOI : 10.1039/d2cp02980d (2022)
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M. Ibrahim, J.-C. Guillemin, L. Krim

VUV photopolymerization of ketene under interstellar conditions: from the dilute phase to the condensed phase

The photodecomposition of ketene under interstellar conditions and how the resulting photofragments may recombine in the 3-300 K temperature range could play an important role in investigations related to astrochemistry and astrobiology. Using a combination of bulk ice and rare-gas matrix isolation studies coupled to Fourier transform infrared (FTIR) spectroscopy, this work aims to understand the vacuum ultraviolet (VUV) photochemistry of CH2CO in solid phase to mimic the photochemistry of organic species trapped in the icy interstellar grains. We show that the photolysis of CH2CO depends strongly on the environments where it is trapped...

Exporter la référence : DOI : 10.1093/mnras/stac1452 (2022)
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A.A. Marinina, D. Jacquemart, L. Krim, P. Soulard, V.I. Perevalov.

The ν3 band of 16O14N18O: Line positions and intensities

The Fourier transform IR spectra of samples prepared by mixing two gaseous species 18O2/14N16O (1:2) have been recorded in the region of the ν3 band of nitrogen dioxide. The spectra contain the lines corresponding to the ν3 band of the 16O14N18O isotopologue within the 1540–1640 cm−1. In total 1795 lines of the ν3 band of this isotopologue were assigned with the rotational quantum numbers N and Ka up to 51 and 12, respectively, what corresponds to 3487 electron spin-rotation-vibration transitions...

Exporter la référence : DOI : 10.1016/j.jqsrt.2022.108312
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P. Soulard, B. Tremblay

Vibrational study of hydrated methyl formate complexes in solid neon...

Methyl formate (MF) is an important interstellar medium molecule and it has been the subject of several theoretical and experimental studies in literature. The experimental study of the complexation of this molecule with water has never been undertaken from a vibrational point of view as well as the homodimer (MF) 2...

Exporter la référence : DOI : 10.1016/j.molstruc.2022.132604
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