INVESTIGADORES
ROMANO rosana mariel
artículos
Título:
Preparation and conformational properties of the novel perfluorodiether, CF3OCF2OCF2C(O)F, a model molecule to study properties of perfluoropolyethers
Autor/es:
ROSANA M. ROMANO; JOANNA CZARNOWSKI; CARLOS O. DELLA VÉDOVA
Revista:
INORGANIC CHEMISTRY
Referencias:
Año: 2001 vol. 40 p. 3039 - 3047
ISSN:
0020-1669
Resumen:
The compound CF3OCF2OCF2C(O)F was prepared by oxidation of hexafluoropropene with molecular oxygen in
the gas-phase using CF3OF as initiator. 13C NMR, FTIR, Raman, UV-vis, and mass spectra were obtained and
interpreted. The theoretical structure studies were performed by the calculation of the potential energy surfaces,
using the results obtained for a smaller related molecule, CF3OCF2C(O)F, as a starting point. A high degree of
conformational flexibility of this compound is evidenced by the values of several conformations, varying within
the range of 1 kcal/mol. Theoretical calculations predict chain conformations as the most stable molecular forms,
as expected from the presence of the anomeric effect. The experimental fundamental vibrational modes are compared
with those obtained theoretically, using ab initio and density functional theory methods, HF/6-31+G* and B3LYP/
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
conformational flexibility of this compound is evidenced by the values of several conformations, varying within
the range of 1 kcal/mol. Theoretical calculations predict chain conformations as the most stable molecular forms,
as expected from the presence of the anomeric effect. The experimental fundamental vibrational modes are compared
with those obtained theoretically, using ab initio and density functional theory methods, HF/6-31+G* and B3LYP/
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
conformational flexibility of this compound is evidenced by the values of several conformations, varying within
the range of 1 kcal/mol. Theoretical calculations predict chain conformations as the most stable molecular forms,
as expected from the presence of the anomeric effect. The experimental fundamental vibrational modes are compared
with those obtained theoretically, using ab initio and density functional theory methods, HF/6-31+G* and B3LYP/
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
interpreted. The theoretical structure studies were performed by the calculation of the potential energy surfaces,
using the results obtained for a smaller related molecule, CF3OCF2C(O)F, as a starting point. A high degree of
conformational flexibility of this compound is evidenced by the values of several conformations, varying within
the range of 1 kcal/mol. Theoretical calculations predict chain conformations as the most stable molecular forms,
as expected from the presence of the anomeric effect. The experimental fundamental vibrational modes are compared
with those obtained theoretically, using ab initio and density functional theory methods, HF/6-31+G* and B3LYP/
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
point (mp ) -140(5) °C), its boiling point (bp ) 14.5 (1) °C), and the relation between its vapor pressure and
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
the absolute temperature (ln P ) 13.699 - 2023.4/T) were also determined.
6-31+G*, respectively. The density of the compound at ambient temperature (ä ) 1.7(1) g/mL), its melting
point (mp ) -140(5) °