1H, 13C, and 19F NMR studies of phencyclone adducts of N-(polyhalophenyl)maleimides: Evidence for dynamic NMR in maleamic acids - Ab initio calculations for optimized structures

Journal of Fluorine Chemistry

Volumn 125, Issue 12, 2004, Pages 1893-1907

  Marshall, Kimberly ^a   Rosmarion, Kerstin ^b   Sklyut, Olga ^b   Azar, Nikolay ^b   Callahan, Ronald ^c   Rothchild, Robert ^b,d  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

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

^c NEW YORK UNIVERSITY   (United States)

^d CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

COSY; Dynamic NMR; Hartree Fock; HETCOR; Hindered rotations; Magnetic anisotropy; Molecular modeling; One and two dimensional (1D and 2D) NMR

Indexed keywords

FLUORINE; HALOGEN; KETONE DERIVATIVE; MALEIC ACID DERIVATIVE; MALEIMIDE DERIVATIVE; N (2,3,4,5,6 PENTACHLOROPHENYL)MALEIMIDE; N (2,3,5,6 TETRAFLUOROPHENYL)MALEAMIC ACID; N (2,3,5,6 TETRAFLUOROPHENYL)MALEIMIDE; N (2,4,6 TRIBROMOPHENYL)MALEIMIDE; N (4 BROMO 2,3,5,6 TETRAFLUOROPHENYL)MALEAMIC ACID; N (4 BROMO 2,3,5,6 TETRAFLUOROPHENYL)MALEIMIDE; N (4 BROMO 2,6 DIFLUOROPHENYL)MALEAMIC ACID; N (4 BROMO 2,6 DIFLUOROPHENYL)MALEIMIDE; PHENYL GROUP; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANALYTIC METHOD; ANISOTROPY; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL ANALYSIS; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DIELS ALDER REACTION; GEOMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; REACTION OPTIMIZATION; SPECTROSCOPY; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE;

EID: 11444253677     PISSN: 00221139     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jfluchem.2004.07.002     Document Type: Article

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