About: The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO2CF3)(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations     Goto   Sponge   NotDistinct   Permalink

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  • Molekulová struktura N-fluorobis(trifluoromethanesulfonyl)imidu, NF(SO2CF3)(2), studovaná elektronovou difrakcí omezenou ab initio výpočty. (cs)
  • The structure of N-fluorobis(trifluoromethylsulfonyl) imide, prepared by a relatively safe and easy method, has been determined by gas-phase electron diffraction (GED), employing the SARACEN method, with flexible restraints based on the MP2/6-311G* structure, and by X-ray crystallography at 150 K. The strongly electron-withdrawing CF3 and SO2CF3 groups make the C-S and N-S distances long, averaging 187.7(3) and 171.7(3) pm, respectively, in the gas phase. The gas consists of two conformers, one (75%) with a CF3 group on each side of the SNS plane, one anti- periplanar and one syn- periplanar to the further N-S bond (ap, sp), and the other with both CF3 groups on the same side, i.e. denoted ap, ap. These conformers have very different SNS angles, 126.9(9)degrees and 117.1(17)degrees respectively. In the crystal all molecules have the ap, sp conformation, with parameters similar to those found for this conformer in the gas phase.
  • The structure of N-fluorobis(trifluoromethylsulfonyl) imide, prepared by a relatively safe and easy method, has been determined by gas-phase electron diffraction (GED), employing the SARACEN method, with flexible restraints based on the MP2/6-311G* structure, and by X-ray crystallography at 150 K. The strongly electron-withdrawing CF3 and SO2CF3 groups make the C-S and N-S distances long, averaging 187.7(3) and 171.7(3) pm, respectively, in the gas phase. The gas consists of two conformers, one (75%) with a CF3 group on each side of the SNS plane, one anti- periplanar and one syn- periplanar to the further N-S bond (ap, sp), and the other with both CF3 groups on the same side, i.e. denoted ap, ap. These conformers have very different SNS angles, 126.9(9)degrees and 117.1(17)degrees respectively. In the crystal all molecules have the ap, sp conformation, with parameters similar to those found for this conformer in the gas phase. (en)
Title
  • The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO2CF3)(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations
  • Molekulová struktura N-fluorobis(trifluoromethanesulfonyl)imidu, NF(SO2CF3)(2), studovaná elektronovou difrakcí omezenou ab initio výpočty (cs)
  • The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO2CF3)(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations (en)
skos:prefLabel
  • The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO2CF3)(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations
  • Molekulová struktura N-fluorobis(trifluoromethanesulfonyl)imidu, NF(SO2CF3)(2), studovaná elektronovou difrakcí omezenou ab initio výpočty (cs)
  • The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO2CF3)(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations (en)
skos:notation
  • RIV/61388980:_____/07:00080437!RIV07-AV0-61388980
http://linked.open.../vavai/riv/strany
  • 265;271
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z40320502)
http://linked.open...iv/cisloPeriodika
  • 2
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 434873
http://linked.open...ai/riv/idVysledku
  • RIV/61388980:_____/07:00080437
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • crystalline phases; fluorination; sulfone (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [CE473000B676]
http://linked.open...i/riv/nazevZdroje
  • Dalton Transactions
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • -
http://linked.open...iv/tvurceVysledku
  • Hnyk, Drahomír
  • Rankin, D. W. H.
  • Robertson, H. E.
  • Brain, P. T.
  • Smart, B. A.
  • Banks, R. E.
  • Murtagh, V.
http://linked.open...n/vavai/riv/zamer
issn
  • 1477-9226
number of pages
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