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Journal of Physical Chemistry A(2)
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Dimers of perhaloacetyl cyanides: CClF<inf>2</inf>C(O)OC(CN) <inf>2</inf>CClF<inf>2</inf> and CF<inf>3</inf>C(O)OC(CN) <inf>2</inf>CF <inf>3</inf>. Preparation, properties, and spectroscopy
ArticleAbstract: The vapor of the new compound 1,1-dicyano-2-chloro-2,2-difluoroethyl chlorodifluoroacetate, CClF2C(OPalabras claves:Autores:Beckers H., Ge M.F., Luis A. Ramos-Guerrero, Romano R.M., Tong S., Ulic S.E., Védova. C.O.D., Willner H.Fuentes:scopusMatrix photochemical study and conformational analysis of CH <inf>3</inf>C(O)NCS and CF<inf>3</inf>C(O)NCS
ArticleAbstract: The vapor of acetyl isocyanide, CH3C(O)NCS, and trifluoroacetyl isocyanide, CF3C(O)NCS, were isolatePalabras claves:Autores:Beckers H., Luis A. Ramos-Guerrero, Romano R.M., Ulic S.E., Védova. C.O.D., Willner H.Fuentes:scopusVibrational spectra, crystal structures, constitutional and rotational isomerism of FC(O)SCN and FC(O)NCS
ArticleAbstract: Fluorocarbonyl thio- and isothiocyanate, FC(O)SCN and FC(O)NCS, were fully characterized by IR (gas,Palabras claves:Autores:Beckers H., Bernhardt E., Erben M.F., Lehmann C.W., Luis A. Ramos-Guerrero, Romano R.M., Ulic S.E., Védova. C.O.D., Willner H.Fuentes:scopusSynthesis, spectroscopic and structural properties of CF<inf>3</inf>SO <inf>2</inf>OCCl<inf>3</inf>
ArticleAbstract: Trichloromethyl trifluoromethanesulphonate, CF3SO 2OCCl3, was prepared by quantitative reaction betwPalabras claves:ab initio calculations, DFT calculations, Fourier-type expansion, Internal rotational barrier, Natural bond orbital analysis, Vibrational spectroscopyAutores:Ben Altabef A., Defonsi Lestard M.E., Luis A. Ramos-Guerrero, Tuttolomondo M.E., Ulic S.E.Fuentes:scopusThe role of halogen C-X<inf>1</inf>⋯X<inf>2</inf>-C contact on the preferred conformation of 2-perhalomethylchromones in solid state
ArticleAbstract: The solid state of 2-chlorodifluoromethyl-3-methylchromone (1) and 3-bromomethyl-2-chlorodifluorometPalabras claves:2-Chlorodifluoromethylchromones, Halogen-halogen contacts, Quantum chemical calculations, Single crystal x-ray diffraction, Spectroscopic propertiesAutores:Argüello G.A., Burgos Paci M.A., Christian David Alcívar León, Echeverría G.A., Jios J.L., Piro O.E., Ulic S.E.Fuentes:googlescopus