Evidence for the Cyclic CN2 Carbene in the Gas Phase

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F14%3A10287434" target="_blank" >RIV/00216208:11310/14:10287434 - isvavai.cz</a>
Alternative codes found
RIV/60461373:22310/14:43898294 RIV/61388963:_____/14:00486557
Result on the web
<a href="http://dx.doi.org/10.1021/ol5027602" target="_blank" >http://dx.doi.org/10.1021/ol5027602</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ol5027602" target="_blank" >10.1021/ol5027602</a>

Result language
angličtina
Original language name
Evidence for the Cyclic CN2 Carbene in the Gas Phase
Original language description
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.
Czech name
—
Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
—

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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