Zobrazeno 1 - 10
of 71
pro vyhledávání: '"Yann Danten"'
Publikováno v:
Molbank, Vol 2024, Iss 3, p M1849 (2024)
Bis(1-butyl-1-methypyrrolidinium) perthiodicarbonate was obtained by the reaction of carbon disulfide with 1-butyl-1-methypyrrolidinium acetate ([BmPyrro][Ac]) in the liquid phase. Structural characterization of this original complex was achieved by
Externí odkaz:
https://doaj.org/article/11c8c864578347c3980f04d6d2166a96
Publikováno v:
The Journal of Physical Chemistry A. 126:9577-9593
Material design enters an era in which control of electrons in atoms, molecules, and materials is an essential property to be predicted and thoroughly understood in view of discovering new compounds with properties optimized toward specific optical/o
Autor:
M. Isabel Cabaço, Marcel Besnard, Carlos Cruz, Pedro Morgado, Gonçalo M. C. Silva, Eduardo J. M. Filipe, João A. P. Coutinho, Yann Danten
Publikováno v:
The Journal of Physical Chemistry B. 126:1992-2004
Publikováno v:
The journal of physical chemistry. A. 126(36)
A model for decomposing the Le Bahers, Adamo, and Ciofini Charge Transfer (CT) Excitations global indexes (
Autor:
Yann Danten, Pedro Morgado, Eduardo J. M. Filipe, João A. P. Coutinho, Marcel Besnard, M. Isabel Cabaço
Publikováno v:
Chemical Physics
Chemical Physics, Elsevier, 2021, 544, pp.111110. ⟨10.1016/j.chemphys.2021.111110⟩
Chemical Physics, Elsevier, 2021, 544, pp.111110. ⟨10.1016/j.chemphys.2021.111110⟩
Infrared spectroscopy shows that perfluoro tert-butyl alcohol (TBF) forms hydrogen bonded hetero dimers with hydrogenated alcohols (Methanol, 1-butanol and Tert-butanol) in the gas phase at room temperature. DFT calculations confirm these findings pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ec6c139fb6677a0eb5928306cabfec1
https://hal.archives-ouvertes.fr/hal-03450719
https://hal.archives-ouvertes.fr/hal-03450719
Autor:
M. Isabel Cabaço, Yann Danten, Goncalo Silva, João A. P. Coutinho, Pedro Morgado, Carlos Cruz, Eduardo J. M. Filipe, Marcel Besnard
Publikováno v:
Chemical Physics Letters
Chemical Physics Letters, Elsevier, 2021, 779, pp.138844. ⟨10.1016/j.cplett.2021.138844⟩
Chemical Physics Letters, Elsevier, 2021, 779, pp.138844. ⟨10.1016/j.cplett.2021.138844⟩
International audience; The state of aggregation of room temperature liquid perfluoro tert-butanol (TBF) has been assessed in comparison with that of its hydrogenated homologue (TBH). This study has been performed using vibrational spectroscopy (Rama
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::faab2a09279c43cd669c1edc087076de
https://hal.archives-ouvertes.fr/hal-03452084/file/CPL_2021_TBF-liquid.pdf
https://hal.archives-ouvertes.fr/hal-03452084/file/CPL_2021_TBF-liquid.pdf
Publikováno v:
Physical chemistry chemical physics (Online) 22 (2020): 20212–20226. doi:10.1039/d0cp02045a
info:cnr-pdr/source/autori:Lambert F.; Danten Y.; Gatti C.; Frayret C./titolo:A tool for deciphering the redox potential ranking of organic compounds: a case study of biomass-extracted quinones for sustainable energy/doi:10.1039%2Fd0cp02045a/rivista:Physical chemistry chemical physics (Online)/anno:2020/pagina_da:20212/pagina_a:20226/intervallo_pagine:20212–20226/volume:22
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (36), pp.20212-20226. ⟨10.1039/d0cp02045a⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (36), pp.20212-20226. ⟨10.1039/D0CP02045A⟩
info:cnr-pdr/source/autori:Lambert F.; Danten Y.; Gatti C.; Frayret C./titolo:A tool for deciphering the redox potential ranking of organic compounds: a case study of biomass-extracted quinones for sustainable energy/doi:10.1039%2Fd0cp02045a/rivista:Physical chemistry chemical physics (Online)/anno:2020/pagina_da:20212/pagina_a:20226/intervallo_pagine:20212–20226/volume:22
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (36), pp.20212-20226. ⟨10.1039/d0cp02045a⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (36), pp.20212-20226. ⟨10.1039/D0CP02045A⟩
Carbonyl compounds have emerged as promising organic electrodes for sustainable energy storage. Accelerating the process of performant materials discovery relies on the possibility of developing methodologies to enable scanning of various sets of can
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b25a59667cfca2bc78876e4f38d08e5a
Publikováno v:
Journal of Raman Spectroscopy. 47:449-456
In this paper we investigate the solvation of silver bis(trifluoromethylsulfonyl)imide salt (AgTFSI) in 1-ethyl-3-methylimidazolium TFSI [EMI][TFSI] ionic liquid by combining Raman and infrared (IR) spectroscopies with density functional theory (DFT)
Autor:
Marcel Besnard, Kiki A. Kurnia, João A. P. Coutinho, Yann Danten, Tânia E. Sintra, Maria Isabel Cabaço
Publikováno v:
New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2017, 41 (1), pp.47-50. ⟨10.1039/C6NJ02575G⟩
New Journal of Chemistry, Royal Society of Chemistry, 2017, 41 (1), pp.47-50. ⟨10.1039/C6NJ02575G⟩
In this work, we demonstrate a simple and atom-economic method for preparation of a novel hydrophobic ionic liquid (IL) from hydrophilic ILs and its characterization data are disclosed. The simple preparation route also provides opportunities for rem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9279d200c3d79b930c83dfa72a72abbd
https://hal.archives-ouvertes.fr/hal-03153718
https://hal.archives-ouvertes.fr/hal-03153718
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2016, 120 (23), pp.5243-5254. ⟨10.1021/acs.jpcb.6b03229⟩
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2016, 120 (23), pp.5243-5254. ⟨10.1021/acs.jpcb.6b03229⟩
The reaction mechanisms of CO, and its isoelectronic molecules OCS and CS2 dissolved in N-butyl-N-methylpyrrolidinium acetate and in 1-butyl-3-methylimidazolium acetate were investigated by DFT calculations in \"gas phase\". The analysis of predicted
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45a56682bcc08c2368197ef328d78ca1