The Experts below are selected from a list of 201 Experts worldwide ranked by ideXlab platform

Walther Caminati - One of the best experts on this subject based on the ideXlab platform.

  • rotational study of the bimolecule acetic Acid Fluoroacetic Acid
    Chemical Physics Letters, 2017
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Walther Caminati
    Abstract:

    Abstract The rotational spectrum of the acetic Acid-Fluoroacetic Acid bimolecule was measured by using a pulsed jet Fourier transform microwave spectrometer. One conformer, in which Fluoroacetic Acid is in trans form, has been observed. The rotational transitions are split into two component lines, due to the internal rotation of the methyl group of acetic Acid. From these splittings, the corresponding V 3 barrier has been determined. The dissociation energy of this complex has been estimated to 66 kJ/mol. An increase of the distance between the two monomers upon the OH → OD substitution (Ubbelohde effect) has been observed.

  • hydrated forms of Fluoroacetic Acid a rotational study
    Physical Chemistry Chemical Physics, 2016
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Lorenzo Spada, Susana Blanco, Walther Caminati
    Abstract:

    The rotational spectra of two conformers of the 1:1 adduct of Fluoroacetic Acid with water have been assigned by pulsed jet Fourier transform microwave spectroscopy. Their shapes differ according to the trans and cis forms of the Fluoroacetic Acid moiety. This is in contrast to the rotational spectrum of the monomer, for which the cis form has not been observed. Details of the hydrogen bond, structure, dynamics and energetic features of the two species are given.

  • Conformational Equilibria in Bimolecules of Carboxylic Acids: A Rotational Study of Fluoroacetic Acid–Acrylic Acid
    2015
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species

  • the rotational spectrum of formic Acid Fluoroacetic Acid
    Journal of Molecular Spectroscopy, 2014
    Co-Authors: Luca Evangelisti, Gang Feng, Qian Gou, Walther Caminati
    Abstract:

    Abstract The pure rotational spectrum of formic Acid–Fluoroacetic Acid complex was measured in the range 6–18 GHz using a cavity-based pulsed jet Fourier transform microwave spectrometer. In all, 73 transitions were measured for four isotopologues of the complex where the Fluoroacetic Acid is in trans form. The conformational stabilities, structures and spectroscopic parameters were determined with ab initio calculations at MP2 levels of theory with 6-311++G(d,p) basis set. The deuterations of the carboxylic groups generate an increase of the distance between the two subunits of the complex. This phenomenon (Ubbelohde effect) has been quantified using the changes of the P aa planar moment of inertia upon OH → OD substitutions.

  • conformational equilibria in bimolecules of carboxylic Acids a rotational study of Fluoroacetic Acid acrylic Acid
    Journal of Physical Chemistry Letters, 2013
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species.

Gang Feng - One of the best experts on this subject based on the ideXlab platform.

  • rotational study of the bimolecule acetic Acid Fluoroacetic Acid
    Chemical Physics Letters, 2017
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Walther Caminati
    Abstract:

    Abstract The rotational spectrum of the acetic Acid-Fluoroacetic Acid bimolecule was measured by using a pulsed jet Fourier transform microwave spectrometer. One conformer, in which Fluoroacetic Acid is in trans form, has been observed. The rotational transitions are split into two component lines, due to the internal rotation of the methyl group of acetic Acid. From these splittings, the corresponding V 3 barrier has been determined. The dissociation energy of this complex has been estimated to 66 kJ/mol. An increase of the distance between the two monomers upon the OH → OD substitution (Ubbelohde effect) has been observed.

  • hydrated forms of Fluoroacetic Acid a rotational study
    Physical Chemistry Chemical Physics, 2016
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Lorenzo Spada, Susana Blanco, Walther Caminati
    Abstract:

    The rotational spectra of two conformers of the 1:1 adduct of Fluoroacetic Acid with water have been assigned by pulsed jet Fourier transform microwave spectroscopy. Their shapes differ according to the trans and cis forms of the Fluoroacetic Acid moiety. This is in contrast to the rotational spectrum of the monomer, for which the cis form has not been observed. Details of the hydrogen bond, structure, dynamics and energetic features of the two species are given.

  • Conformational Equilibria in Bimolecules of Carboxylic Acids: A Rotational Study of Fluoroacetic Acid–Acrylic Acid
    2015
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species

  • the rotational spectrum of formic Acid Fluoroacetic Acid
    Journal of Molecular Spectroscopy, 2014
    Co-Authors: Luca Evangelisti, Gang Feng, Qian Gou, Walther Caminati
    Abstract:

    Abstract The pure rotational spectrum of formic Acid–Fluoroacetic Acid complex was measured in the range 6–18 GHz using a cavity-based pulsed jet Fourier transform microwave spectrometer. In all, 73 transitions were measured for four isotopologues of the complex where the Fluoroacetic Acid is in trans form. The conformational stabilities, structures and spectroscopic parameters were determined with ab initio calculations at MP2 levels of theory with 6-311++G(d,p) basis set. The deuterations of the carboxylic groups generate an increase of the distance between the two subunits of the complex. This phenomenon (Ubbelohde effect) has been quantified using the changes of the P aa planar moment of inertia upon OH → OD substitutions.

  • conformational equilibria in bimolecules of carboxylic Acids a rotational study of Fluoroacetic Acid acrylic Acid
    Journal of Physical Chemistry Letters, 2013
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species.

Qian Gou - One of the best experts on this subject based on the ideXlab platform.

  • rotational study of the bimolecule acetic Acid Fluoroacetic Acid
    Chemical Physics Letters, 2017
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Walther Caminati
    Abstract:

    Abstract The rotational spectrum of the acetic Acid-Fluoroacetic Acid bimolecule was measured by using a pulsed jet Fourier transform microwave spectrometer. One conformer, in which Fluoroacetic Acid is in trans form, has been observed. The rotational transitions are split into two component lines, due to the internal rotation of the methyl group of acetic Acid. From these splittings, the corresponding V 3 barrier has been determined. The dissociation energy of this complex has been estimated to 66 kJ/mol. An increase of the distance between the two monomers upon the OH → OD substitution (Ubbelohde effect) has been observed.

  • hydrated forms of Fluoroacetic Acid a rotational study
    Physical Chemistry Chemical Physics, 2016
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Lorenzo Spada, Susana Blanco, Walther Caminati
    Abstract:

    The rotational spectra of two conformers of the 1:1 adduct of Fluoroacetic Acid with water have been assigned by pulsed jet Fourier transform microwave spectroscopy. Their shapes differ according to the trans and cis forms of the Fluoroacetic Acid moiety. This is in contrast to the rotational spectrum of the monomer, for which the cis form has not been observed. Details of the hydrogen bond, structure, dynamics and energetic features of the two species are given.

  • Conformational Equilibria in Bimolecules of Carboxylic Acids: A Rotational Study of Fluoroacetic Acid–Acrylic Acid
    2015
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species

  • the rotational spectrum of formic Acid Fluoroacetic Acid
    Journal of Molecular Spectroscopy, 2014
    Co-Authors: Luca Evangelisti, Gang Feng, Qian Gou, Walther Caminati
    Abstract:

    Abstract The pure rotational spectrum of formic Acid–Fluoroacetic Acid complex was measured in the range 6–18 GHz using a cavity-based pulsed jet Fourier transform microwave spectrometer. In all, 73 transitions were measured for four isotopologues of the complex where the Fluoroacetic Acid is in trans form. The conformational stabilities, structures and spectroscopic parameters were determined with ab initio calculations at MP2 levels of theory with 6-311++G(d,p) basis set. The deuterations of the carboxylic groups generate an increase of the distance between the two subunits of the complex. This phenomenon (Ubbelohde effect) has been quantified using the changes of the P aa planar moment of inertia upon OH → OD substitutions.

  • conformational equilibria in bimolecules of carboxylic Acids a rotational study of Fluoroacetic Acid acrylic Acid
    Journal of Physical Chemistry Letters, 2013
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species.

Luca Evangelisti - One of the best experts on this subject based on the ideXlab platform.

  • rotational study of the bimolecule acetic Acid Fluoroacetic Acid
    Chemical Physics Letters, 2017
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Walther Caminati
    Abstract:

    Abstract The rotational spectrum of the acetic Acid-Fluoroacetic Acid bimolecule was measured by using a pulsed jet Fourier transform microwave spectrometer. One conformer, in which Fluoroacetic Acid is in trans form, has been observed. The rotational transitions are split into two component lines, due to the internal rotation of the methyl group of acetic Acid. From these splittings, the corresponding V 3 barrier has been determined. The dissociation energy of this complex has been estimated to 66 kJ/mol. An increase of the distance between the two monomers upon the OH → OD substitution (Ubbelohde effect) has been observed.

  • hydrated forms of Fluoroacetic Acid a rotational study
    Physical Chemistry Chemical Physics, 2016
    Co-Authors: Gang Feng, Qian Gou, Luca Evangelisti, Lorenzo Spada, Susana Blanco, Walther Caminati
    Abstract:

    The rotational spectra of two conformers of the 1:1 adduct of Fluoroacetic Acid with water have been assigned by pulsed jet Fourier transform microwave spectroscopy. Their shapes differ according to the trans and cis forms of the Fluoroacetic Acid moiety. This is in contrast to the rotational spectrum of the monomer, for which the cis form has not been observed. Details of the hydrogen bond, structure, dynamics and energetic features of the two species are given.

  • Conformational Equilibria in Bimolecules of Carboxylic Acids: A Rotational Study of Fluoroacetic Acid–Acrylic Acid
    2015
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species

  • the rotational spectrum of formic Acid Fluoroacetic Acid
    Journal of Molecular Spectroscopy, 2014
    Co-Authors: Luca Evangelisti, Gang Feng, Qian Gou, Walther Caminati
    Abstract:

    Abstract The pure rotational spectrum of formic Acid–Fluoroacetic Acid complex was measured in the range 6–18 GHz using a cavity-based pulsed jet Fourier transform microwave spectrometer. In all, 73 transitions were measured for four isotopologues of the complex where the Fluoroacetic Acid is in trans form. The conformational stabilities, structures and spectroscopic parameters were determined with ab initio calculations at MP2 levels of theory with 6-311++G(d,p) basis set. The deuterations of the carboxylic groups generate an increase of the distance between the two subunits of the complex. This phenomenon (Ubbelohde effect) has been quantified using the changes of the P aa planar moment of inertia upon OH → OD substitutions.

  • conformational equilibria in bimolecules of carboxylic Acids a rotational study of Fluoroacetic Acid acrylic Acid
    Journal of Physical Chemistry Letters, 2013
    Co-Authors: Qian Gou, Gang Feng, Luca Evangelisti, Walther Caminati
    Abstract:

    The rotational spectra of three conformers of the Fluoroacetic Acid–acrylic Acid bimolecule have been assigned by pulsed jet Fourier Transform microwave spectroscopy. Information on their relative populations in the jet has been obtained by relative intensity measurements. In addition, the Ubbelohde effect has been quantitatively estimated from the changes of the planar moment of inertia Paa upon H→D isotopic substitution of the carboxylic hydrogens. The dissociation energies of the three conformers, as estimated from centrifugal distortion effects, have almost the same values for the three species.

Andrey S Radilov - One of the best experts on this subject based on the ideXlab platform.

  • determination of Fluoroacetic Acid in water and biological samples by gc fid and gc ms in combination with solid phase microextraction
    Analytical and Bioanalytical Chemistry, 2006
    Co-Authors: Nadezhda L Koryagina, Elena Savelieva, Natalia Khlebnikova, Nikolay V Goncharov, R O Jenkins, Andrey S Radilov
    Abstract:

    A novel procedure has been developed for determination of Fluoroacetic Acid (FAA) in water and biological samples. It involves ethylation of FAA with ethanol in the presence of sulfuric Acid, solid-phase microextraction of the ethyl fluoroacetate formed, and subsequent analysis by GC-FID or by GC-MS in selected-ion-monitoring mode. The detection limits for FAA in water, blood plasma, and organ homogenates are 0.001 μg mL−1, 0.01 μg mL−1, and 0.01 μg g−1, respectively. The determination error at concentrations close to the detection limit was less than 50%. For analysis of biological samples, the approach has the advantages of overcoming the matrix effect and protecting the GC and GC-MS systems from contamination. Application of the approach to determination of FAA in blood plasma and organ tissues of animals poisoned with sodium fluoroacetate reveals substantial differences between the dynamics of FAA accumulation and clearance in rabbits and rats.