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Study of the nitration of di-n-octylcrown-6 calix[4]arene using LC-MS, NMR, and molecular modeling
Study of the nitration of di-n-octylcrown-6 calix[4]arene using LC-MS, NMR, and molecular modeling
- Source :
- Canadian Journal of Chemistry. August, 2005, Vol. 83 Issue 8, p1098, 16 p.
- Publication Year :
- 2005
-
Abstract
- The selective HN[O.sub.3] nitration of di-n-octylcrown-6 calix[4]arene using different conditions, studied with LCMS and NMR ([1.sup]H and [13.sup]C) spectroscopic techniques, lead to the identification of most of the expected nitro derivative isomeric compounds. The formation of these isomers under acidic and radiolytic conditions is discussed with the help of molecular modelling. Key words: calix crown compounds, nitration of calixarenes, NMR of isomeric nitrocalixarenes, LC-ESI-MS. Resume : La nitration selective au HN[O.sub.3] du di-n-octylcouronne-6 calix[4]arbne dans differentes conditions, etudiee par des techniques spectroscopiques de LC-MS et de RMN ([1.sup]H et [13.sup]C), conduisent a l'identification de la plupart des isomeres de derives nitro attendus. La formation de ces isombres dans des conditions acides et radiolytiques est discutee avec l'aide de la mode1isation moleculaire. Mots cles : composes calix couronne, nitration de calixarenes, RMN des nitrocalixarenes isomeres, LC-ESI-MS.
Details
- Language :
- English
- ISSN :
- 00084042
- Volume :
- 83
- Issue :
- 8
- Database :
- Gale General OneFile
- Journal :
- Canadian Journal of Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.139678277