Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Edgardo H. Cutin"'
Publikováno v:
Journal of Molecular Structure. 1230:129879
The presence of a perfluorinated functional group as a substituent of the aromatic ring in m- and o-trifluoromethylsulfinylaniline may provide conformational and vibrational properties of interest for the synthesis of compounds of pharmacological rel
Autor:
Doly M. Chemes, Rosa María Susana Álvarez, Norma Lis Robles, Heinz Oberhammer, Edgardo H. Cutin
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
The study of substitution effects on the structural and vibrational properties of para substituted sulfinylanilines proceeds a step forward with the study of p-trifluoromethylsulfinylaniline, synthesized and characterized by NMR, Raman, FTIR and mass
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::efead3bae06396f045b509be64a28103
https://www.sciencedirect.com/science/article/pii/S0022113917304608
https://www.sciencedirect.com/science/article/pii/S0022113917304608
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 125:1-6
The structural, conformational, and configurational properties of 1,1,1-trifluoro-N-(1,1,2,2,2-pentafluoroethyl) methanesulfinimidoyl fluoride, CF3CF2N=S(F)CF3 have been studied by vibrational spectroscopy [IR (vapor) and Raman (liquid)] and quantum
Autor:
Eduard Bernhardt, Heinz Oberhammer, Norma Lis Robles, Andrea Flores Antognini, Xiaoqing Zeng, Helge Willner, M.E. Hirschberg, Edgardo H. Cutin
Publikováno v:
Journal of Fluorine Chemistry. 144:59-64
Analysis of the vibrational spectra and quantum chemical calculations for morpholine sulfur trifluoride,SF3N(CH2CH2)2O, demonstrate that the morpholine ring possesses chair conformation and occupies an equatorial position of the trigonal bipyramidal
Publikováno v:
Journal of Molecular Structure. 1023:75-80
The vibrational spectra of N- ( trifluoromethyl ) sulfinylamine , CF 3 N S O and N- ( pentafluorsulfanyl ) sulfinylamine , SF 5 N S O have been recorded and assigned. According to quantum chemical calculations (B3LYP and MP2 with 6-31G(d) and 6-311+G
Publikováno v:
Journal of Molecular Structure. 1002:1-9
The structural and conformational properties of F 2 S N CF 2 N SF 2 and F 2 S N CF 2 N S(O)F 2 were studied by vibrational spectroscopy (IR(gas) and Raman(liquid)) and by quantum chemical calculations, using B3LYP and MP2 methods with small and large
Publikováno v:
Journal of Molecular Structure. 978:131-135
The vibrational spectra of pentafluoroethyliminosulfur difluoride, CF 3 CF 2 N SF 2 , were recorded in the gas phase with IR spectroscopy and in the liquid state with Raman spectroscopy. Quantum chemical calculations at the B3LYP (6-311+G(d) and 6-31
Publikováno v:
Journal of Molecular Structure. 976:3-10
Thiazyldifluoride imidosulfurdifluoride, N SF 2 N SF 2, and thiazyldifluoride imidosulfuryldifluoride, N SF 2 N S(O)F 2 were studied by vibrational spectroscopy (FT IR (gas) and Raman (liquid)) and by quantum chemical calculations (B3LYP and MP2 with
Publikováno v:
Journal of Molecular Structure. 930:95-98
The vibrational spectra of (1,1-dichloro-2,2,2- trifluoroethylimino)sulfur dichloride, CF3CCl2N@SCl2, were recorded in the gas phase with IR spectroscopy and in the liquid state with Raman spectroscopy. Quantum chemical calculations at the HF, B3LYP
Publikováno v:
Journal of Molecular Structure. 888:7-12
Vibrational, structural and configurational properties of [(trifluoromethyl)sulfonyl]phosphorimidic trichloride (CF 3 SO 2 N PCl 3 ) have been studied by FT-IR and Raman spectroscopy (liquid phase) and quantum chemical calculations using the 6-311++G