Intramolecular π-π stacking interactions in 2-substituted N,N-dibenzylaziridinium ions and their regioselectivity in nucleophilic ring-opening reactions

Journal of Organic Chemistry

Volumn 75, Issue 3, 2010, Pages 885-896

  Catak, Saron ^a,b   D'Hooghe, Matthias ^a   De Kimpe, Norbert ^a   Waroquier, Michel ^a,b   Van Speybroeck, Veronique ^a,b  

^a GHENT UNIVERSITY   (Belgium)

^b QCMM Alliance Ghent Brussels ^*  (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AZIRIDINES; CARBON ATOMS; CHEMICAL EQUATIONS; COMPUTATIONAL ANALYSIS; DISPERSIVE INTERACTIONS; DRIVING FORCES; ELECTRONIC LEVELS; ENERGY DIFFERENCES; EXPLICIT SOLVENTS; GAIN INSIGHT; HALIDE IONS; INTERACTION ENERGIES; NUCLEOPHILIC RING-OPENING REACTION; PRODUCT DISTRIBUTIONS; RING OPENING; STACKING INTERACTION; STERICS; THERMODYNAMIC PRODUCTS; TRANSITION STATE;

NUCLEOPHILES; QUANTUM CHEMISTRY; REGIOSELECTIVITY;

IONS;

1 BENZYL 1 (ALPHA METHYLBENZYL) 2(S) (PHENOXYMETHYL)AZIRIDINIUM BROMIDE; AZIRIDINE; BROMIDE; FLUORIDE; HALIDE; N,N DIBENZYLAZIRIDINIUM ION DERIVATIVE; NUCLEOPHILE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL INTERACTION; REPRODUCIBILITY; RING OPENING; SOLVATION; THERMODYNAMICS;

AZIRIDINES; BENZYL COMPOUNDS; BROMIDES; CATALYSIS; COMPUTER SIMULATION; IONS; MODELS, MOLECULAR; STEREOISOMERISM;

EID: 75749108239     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo902493w     Document Type: Article

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