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  • 3-Halodiazirine-3-carboxylic acids (c-CN2XCOOH, X = Cl or Br) were prepared from their esters and converted to the corresponding sodium salts. Collisioninduced dissociation (CID) of the carboxylate ions led exclusively to the loss of CO2 and the resulting c-CN2XMINUS SIGN ions dissociated to c-CN2 carbene at low energies. The bond dissociation energy (BDE) for c-CN2BrMINUS SIGN was found to be less than 8 kcal/mol using CID of the anion generated by electrospray ionization of the carboxylate. The analogous difluoro system (CF2XCOOH/CF2XMINUS SIGN /CF2) exhibits similar dissociative behavior. All experimental BDEs are in very good agreement with MP4/aug-cc-pVTZ calculations.
  • 3-Halodiazirine-3-carboxylic acids (c-CN2XCOOH, X = Cl or Br) were prepared from their esters and converted to the corresponding sodium salts. Collisioninduced dissociation (CID) of the carboxylate ions led exclusively to the loss of CO2 and the resulting c-CN2XMINUS SIGN ions dissociated to c-CN2 carbene at low energies. The bond dissociation energy (BDE) for c-CN2BrMINUS SIGN was found to be less than 8 kcal/mol using CID of the anion generated by electrospray ionization of the carboxylate. The analogous difluoro system (CF2XCOOH/CF2XMINUS SIGN /CF2) exhibits similar dissociative behavior. All experimental BDEs are in very good agreement with MP4/aug-cc-pVTZ calculations. (en)
Title
  • Evidence for the Cyclic CN2 Carbene in the Gas Phase
  • Evidence for the Cyclic CN2 Carbene in the Gas Phase (en)
skos:prefLabel
  • Evidence for the Cyclic CN2 Carbene in the Gas Phase
  • Evidence for the Cyclic CN2 Carbene in the Gas Phase (en)
skos:notation
  • RIV/00216208:11310/14:10287434!RIV15-MSM-11310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • I, S
http://linked.open...iv/cisloPeriodika
  • 20
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
  • 15543
http://linked.open...ai/riv/idVysledku
  • RIV/00216208:11310/14:10287434
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • mass spectrometry; carbenes; anions (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [1463BEA36B42]
http://linked.open...i/riv/nazevZdroje
  • Organic Letters
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 16
http://linked.open...iv/tvurceVysledku
  • Váňa, Jiří
  • Roithová, Jana
  • Shaffer, Christopher J.
  • Hanzlova, Eva
  • Martinu, Tomáš
issn
  • 1523-7060
number of pages
http://bibframe.org/vocab/doi
  • 10.1021/ol5027602
http://localhost/t...ganizacniJednotka
  • 11310
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