Zobrazeno 1 - 10
of 129
pro vyhledávání: '"Jean Pierre Aycard"'
Autor:
Nathalie Piétri, Anne Coupeaud, Jean-Pierre Aycard, Isabelle Couturier-Tamburelli, Bintou Sessouma
Publikováno v:
Chemical Physics. 358:13-20
The structures and energies of the cyanoacetylene HC 3 N and diacetylene C 4 H 2 complexes in argon cryogenic matrix have been investigated using FTIR spectroscopy and ab initio calculations. We establish the structure of two 1:1 complexes. The first
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf9726d688534fe79d5f168c76a95510
https://doi.org/10.1016/j.chemphys.2008.11.020
https://doi.org/10.1016/j.chemphys.2008.11.020
Publikováno v:
Chemical Physics Letters. 416:349-353
The photoreactivity of the dicyanoacetylene:acetylene complex, trapped in an argon matrix at 10 K, has been studied at λ > 120 nm using FTIR spectroscopy and complemented by DFT calculations at the B3LYP/6-31G** level. Two products have been formed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d1cdbc0ca0cf77131d8d8626b7dde8df
https://doi.org/10.1016/j.cplett.2005.09.085
https://doi.org/10.1016/j.cplett.2005.09.085
Autor:
Anouk Gaudel-Siri, Jean-Pierre Aycard, Nathalie Piétri, Jean-Marc Pons, Isabelle Couturier-Tamburelli
Publikováno v:
The Journal of Physical Chemistry A. 109:2120-2126
IR spectroscopy is coupled with the matrix isolation technique to study the reaction of trimethylsilylketene with HCl. From 50 K trimethylsilylketene reacts with hydrogen chloride, leading to the cleavage of the Si-C bond and the formation of trimeth
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc6a6bcfcd61516a92202cf2f3aad5bd
https://doi.org/10.1021/jp044862o
https://doi.org/10.1021/jp044862o
Autor:
Anouk Gaudel-Siri, Isabelle Tamburelli-Couturier, Jean-Marc Pons, Nathalie Piétri, Jean-Pierre Aycard
Publikováno v:
International Journal of Quantum Chemistry. 106:719-726
Ketenes are involved in various important reactions, such as (22) cycloadditions or nucleophilic additions. Among them, silylketenes are particularly stable, and their reactivity reveals interesting features. Indeed, they can behave as nucleophiles o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb6452803f0edf33fb7745a95ccd774c
https://doi.org/10.1002/qua.20836
https://doi.org/10.1002/qua.20836
Publikováno v:
Chemical Physics. 302:259-264
The reactivity of HNCO embedded in NH 3 /H 2 O mixtures in astrophysical ratio (1/10) is investigated using FT-IR spectroscopy between 10 and 180 K and quantum calculations. A spontaneous reaction is observed at 10 K between HNCO and NH 3 , which lea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07edbd3751d2bf5f64c8c51a2c3eda6b
https://doi.org/10.1016/j.chemphys.2004.04.013
https://doi.org/10.1016/j.chemphys.2004.04.013
Publikováno v:
Journal of Physical Organic Chemistry. 17:409-417
The reactivity of ketenylcarbenes has been widely discussed on experimental and theoretical grounds in connection with the photochemical decomposition in cryogenic matrices of some substituted cyclobutenediones and maleic anhydrides. It was found tha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::38c3bd60efd6ff2c376f9cdbbde238a9
https://doi.org/10.1002/poc.744
https://doi.org/10.1002/poc.744
Autor:
Jean-Pierre Aycard, Nathalie Piétri, Isabelle Couturier-Tamburelli, Stéphane Coussan, Anne Coupeaud, Zohra Guennoun
Publikováno v:
Chemical Physics. 300:143-151
The structures and energies of the 1:1 acetylene/cyanoacetylene, acetylene/dicyanoacetylene and cyanoacetylene/dicyanoacetylene complexes in solid argon matrices have been investigated using FT-IR spectroscopy and ab initio calculations, at the B3LYP
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b0da7881c5cc6ce3bd64c28bc096f76
https://doi.org/10.1016/j.chemphys.2004.01.020
https://doi.org/10.1016/j.chemphys.2004.01.020
Publikováno v:
Chemical Physics. 300:23-31
The structure and energy of the 1:1 complexes formed between dicyanoacetylene and water (D2O) in argon matrix are investigated using FTIR spectroscopy and ab initio calculations at the B3LYP/6-31g** level of theory. Two types of 1:1 complexes are obs
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b94aeaeef4b678d0d535877983fcd4c
https://doi.org/10.1016/j.chemphys.2003.12.021
https://doi.org/10.1016/j.chemphys.2003.12.021
Publikováno v:
The Journal of Physical Chemistry A. 107:9335-9343
The reactivity of HNCO with molecular NH 3 and with NH 3 ices is investigated between 10 and 150 K with use of FT-IR spectroscopy and ab initio calculations. In argon matrix at 10 K, the formation of a 1/1 molecular complex between HNCO and NH 3 is o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b1b64fd88097df166e4e266e2187243
https://doi.org/10.1021/jp035770m
https://doi.org/10.1021/jp035770m
Publikováno v:
The Journal of Physical Chemistry B. 107:8490-8497
We herein report on the PW-DFT study of molybdenum disulfide catalyst supported on γ-alumina. An Mo 4 S 8 sheet, in a complete periodical environment, was docked to three surfaces of alumina. We found that the alumina surface controlled the orientat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6709c3fa9e2dbd043ba55d7d91471f67
https://doi.org/10.1021/jp0343382
https://doi.org/10.1021/jp0343382