NMR studies of crowded Diels-Alder adducts of 3,6-dibromophencyclone with N-(2,6-dialkylphenyl)maleimides. Hindered rotations and magnetic anisotropy. Ab initio calculations for optimized structures of the precursor maleimides and their adducts with phencyclone and 3,6-dibromophencyclorie

Spectroscopy Letters

Volumn 37, Issue 5, 2004, Pages 533-552

  Tokhunts, Robert ^a   Ramirez III, Orlando ^a,b   Rothchild, Robert ^a,c  

^a JOHN JAY COLLEGE OF CRIMINAL JUSTICE   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

^c CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

1H and 13C NMR; COSY; Dynamic NMR; Hartree Fock geometry optimizations; HETCOR; Homonuclear and heteronuclear chemical shift correlation NMR; Maleimides; One and two dimensional NMR; Restricted rotation; Stereochemistry

Indexed keywords

2,6 DIETHYLPHENYLMALEIMIDE; 2,6 DIISOPROPYLPHENYLMALEIMIDE; 2,6 DIMETHYLPHENYLMALEIMIDE; 3,6 DIBROMOPHENCYCLONE; ALKADIENE; MALEIMIDE DERIVATIVE; METHYL GROUP; PHENCYCLONE; PHENYL GROUP; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANISOTROPY; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CHEMICAL STRUCTURE; DIELS ALDER REACTION; ENVIRONMENTAL TEMPERATURE; MOLECULAR MODEL; PROTON NUCLEAR MAGNETIC RESONANCE; ROTATION;

EID: 5144220663     PISSN: 00387010     EISSN: None     Source Type: Journal    
DOI: 10.1081/SL-120040189     Document Type: Article

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