Azoxy Compound

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Heinz Oberhammer - One of the best experts on this subject based on the ideXlab platform.

  • structure of a fluorinated Azoxy Compound fluoro trifluoromethyl diazene 2 oxide cf3n o nf
    Inorganic Chemistry, 2002
    Co-Authors: Christiane Leibold, Jerry Foropoulos, Helen M Marsden, Jeanne M Shreeve, Heinz Oberhammer
    Abstract:

    A gas-phase electron diffraction study of the Azoxy Compound which was synthesized by the reaction of CF3NO with N2F4 in a Pyrex glass vessel results in a trans CF3N(O)NF structure (F trans to CF3), although quantum chemical calculations (MP2 and B3LYP) predict a greater stability of the cis CF3NN(O)F isomer by about 12 kcal/mol. The CF3 group eclipses the NN double bond. The following skeletal geometric parameters (ra values with 3σ uncertainties) were obtained:  NN 1.287(15) A; NO 1.231(6) A; NF 1.380(6) A; NC 1.498(6) A; NNO 131.2(13)°; NNF 103.5(13)°; NNC 114.0(12)°. The bond lengths in CF3N(O)NF are compared to those in azo, nitryl, and nitrosyl Compounds with fluorine and/or CF3 substituents.

Christiane Leibold - One of the best experts on this subject based on the ideXlab platform.

  • structure of a fluorinated Azoxy Compound fluoro trifluoromethyl diazene 2 oxide cf3n o nf
    Inorganic Chemistry, 2002
    Co-Authors: Christiane Leibold, Jerry Foropoulos, Helen M Marsden, Jeanne M Shreeve, Heinz Oberhammer
    Abstract:

    A gas-phase electron diffraction study of the Azoxy Compound which was synthesized by the reaction of CF3NO with N2F4 in a Pyrex glass vessel results in a trans CF3N(O)NF structure (F trans to CF3), although quantum chemical calculations (MP2 and B3LYP) predict a greater stability of the cis CF3NN(O)F isomer by about 12 kcal/mol. The CF3 group eclipses the NN double bond. The following skeletal geometric parameters (ra values with 3σ uncertainties) were obtained:  NN 1.287(15) A; NO 1.231(6) A; NF 1.380(6) A; NC 1.498(6) A; NNO 131.2(13)°; NNF 103.5(13)°; NNC 114.0(12)°. The bond lengths in CF3N(O)NF are compared to those in azo, nitryl, and nitrosyl Compounds with fluorine and/or CF3 substituents.

Helen M Marsden - One of the best experts on this subject based on the ideXlab platform.

  • structure of a fluorinated Azoxy Compound fluoro trifluoromethyl diazene 2 oxide cf3n o nf
    Inorganic Chemistry, 2002
    Co-Authors: Christiane Leibold, Jerry Foropoulos, Helen M Marsden, Jeanne M Shreeve, Heinz Oberhammer
    Abstract:

    A gas-phase electron diffraction study of the Azoxy Compound which was synthesized by the reaction of CF3NO with N2F4 in a Pyrex glass vessel results in a trans CF3N(O)NF structure (F trans to CF3), although quantum chemical calculations (MP2 and B3LYP) predict a greater stability of the cis CF3NN(O)F isomer by about 12 kcal/mol. The CF3 group eclipses the NN double bond. The following skeletal geometric parameters (ra values with 3σ uncertainties) were obtained:  NN 1.287(15) A; NO 1.231(6) A; NF 1.380(6) A; NC 1.498(6) A; NNO 131.2(13)°; NNF 103.5(13)°; NNC 114.0(12)°. The bond lengths in CF3N(O)NF are compared to those in azo, nitryl, and nitrosyl Compounds with fluorine and/or CF3 substituents.

Jeanne M Shreeve - One of the best experts on this subject based on the ideXlab platform.

  • structure of a fluorinated Azoxy Compound fluoro trifluoromethyl diazene 2 oxide cf3n o nf
    Inorganic Chemistry, 2002
    Co-Authors: Christiane Leibold, Jerry Foropoulos, Helen M Marsden, Jeanne M Shreeve, Heinz Oberhammer
    Abstract:

    A gas-phase electron diffraction study of the Azoxy Compound which was synthesized by the reaction of CF3NO with N2F4 in a Pyrex glass vessel results in a trans CF3N(O)NF structure (F trans to CF3), although quantum chemical calculations (MP2 and B3LYP) predict a greater stability of the cis CF3NN(O)F isomer by about 12 kcal/mol. The CF3 group eclipses the NN double bond. The following skeletal geometric parameters (ra values with 3σ uncertainties) were obtained:  NN 1.287(15) A; NO 1.231(6) A; NF 1.380(6) A; NC 1.498(6) A; NNO 131.2(13)°; NNF 103.5(13)°; NNC 114.0(12)°. The bond lengths in CF3N(O)NF are compared to those in azo, nitryl, and nitrosyl Compounds with fluorine and/or CF3 substituents.

Jerry Foropoulos - One of the best experts on this subject based on the ideXlab platform.

  • structure of a fluorinated Azoxy Compound fluoro trifluoromethyl diazene 2 oxide cf3n o nf
    Inorganic Chemistry, 2002
    Co-Authors: Christiane Leibold, Jerry Foropoulos, Helen M Marsden, Jeanne M Shreeve, Heinz Oberhammer
    Abstract:

    A gas-phase electron diffraction study of the Azoxy Compound which was synthesized by the reaction of CF3NO with N2F4 in a Pyrex glass vessel results in a trans CF3N(O)NF structure (F trans to CF3), although quantum chemical calculations (MP2 and B3LYP) predict a greater stability of the cis CF3NN(O)F isomer by about 12 kcal/mol. The CF3 group eclipses the NN double bond. The following skeletal geometric parameters (ra values with 3σ uncertainties) were obtained:  NN 1.287(15) A; NO 1.231(6) A; NF 1.380(6) A; NC 1.498(6) A; NNO 131.2(13)°; NNF 103.5(13)°; NNC 114.0(12)°. The bond lengths in CF3N(O)NF are compared to those in azo, nitryl, and nitrosyl Compounds with fluorine and/or CF3 substituents.