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Description
| - The molecular structure of free bis(trifluoromethyl) peroxydicarbonate, CF3OC(O)O-OC(O)OCF3, was investigated by the concerted use of gas electron diffraction and theoretical calculations of various quantities (geometry, energy, vibrational; frequencies, C-13 NMR chemical shifts). This combined approach justified the assumption that the syn-syn-syn-syn structure with C-2 overall symmetry (both CF3 groups synperiplanar to the respective C=O bonds,and both C=O bonds synperiplanar to the O-O bond) is the only observable conformer in the vapor of the title compound. The molecule possesses a skew structure with a dihedral angle of tau(C-O-O-C) = 87.1(21)degrees. This narrow angle and the short O-O bond, 1.403(19) Angstrom, are reproduced satisfactorily by a DFT method.
- The molecular structure of free bis(trifluoromethyl) peroxydicarbonate, CF3OC(O)O-OC(O)OCF3, was investigated by the concerted use of gas electron diffraction and theoretical calculations of various quantities (geometry, energy, vibrational; frequencies, C-13 NMR chemical shifts). This combined approach justified the assumption that the syn-syn-syn-syn structure with C-2 overall symmetry (both CF3 groups synperiplanar to the respective C=O bonds,and both C=O bonds synperiplanar to the O-O bond) is the only observable conformer in the vapor of the title compound. The molecule possesses a skew structure with a dihedral angle of tau(C-O-O-C) = 87.1(21)degrees. This narrow angle and the short O-O bond, 1.403(19) Angstrom, are reproduced satisfactorily by a DFT method. (en)
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Title
| - Stucture and conformational properties of bis(trifluoromethyl) peroxydicarbonate, CF3OC(O)O-OC(O)OCF3.
- Stucture and conformational properties of bis(trifluoromethyl) peroxydicarbonate, CF3OC(O)O-OC(O)OCF3. (en)
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skos:prefLabel
| - Stucture and conformational properties of bis(trifluoromethyl) peroxydicarbonate, CF3OC(O)O-OC(O)OCF3.
- Stucture and conformational properties of bis(trifluoromethyl) peroxydicarbonate, CF3OC(O)O-OC(O)OCF3. (en)
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skos:notation
| - RIV/61388980:_____/03:50033030!RIV/2004/AV0/A50004/N
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(IAA4032803), Z(AV0Z4032918)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388980:_____/03:50033030
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - molecular-structure; peroxide; peroxynitrate (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Physical Chemistry A
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...ocetUcastnikuAkce
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http://linked.open...nichUcastnikuAkce
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Macháček, Jan
- Hnyk, Drahomír
- Willner, H.
- Argüello, G. A.
- Oberhammer, H.
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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