The intramolecular interaction of thiophene and furan with aromatic and fluoroaromatic systems in some [3.3]meta(heterocyclo)paracyclophanes: A combined computational and NMR spectroscopic study

Chemistry - A European Journal

Volumn 16, Issue 25, 2010, Pages 7456-7468

  Benaglia, Maurizio ^a   Cozzi, Franco ^a   Mancinelli, Michele ^b   Mazzanti, Andrea ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Arene arene interactions; Conformational analysis; Fluoroaromatic compounds; Nmr spectroscopy; Pi interactions

Indexed keywords

ARENE INTERACTIONS; AROMATIC SYSTEM; BENZENE RING; CONFORMATIONAL ANALYSIS; CONFORMATIONAL PREFERENCES; DFT CALCULATION; FLUORINE ATOMS; GROUND-STATE CONFORMATIONS; HETEROCYCLES; INTRAMOLECULAR INTERACTIONS; ISOMERIZATION PATHWAYS; NMR SPECTROSCOPY; OXYGEN ATOM; PI INTERACTIONS; PROCESS-PASSING; SPECTROSCOPIC STUDIES; STRUCTURAL SIMILARITY; SUBSTITUTED BENZENES; SUBSTITUTED COMPOUNDS; SULFUR ATOMS; THIOPHENE DERIVATIVES; THIOPHENE RING; THRESHOLD ENERGY; TRANSITION STATE; VARIABLE-TEMPERATURE NMR;

AROMATIZATION; ATOMIC SPECTROSCOPY; ATOMS; BENZENE; CONFORMATIONS; ELECTRON TRANSITIONS; FLUORINE; GROUND STATE; ISOMERIZATION; ISOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS; SULFUR; THIOPHENE; X RAY CRYSTALLOGRAPHY;

ORGANIC POLYMERS;

FLUORINATED HYDROCARBON; FURAN; FURAN DERIVATIVE; HETEROCYCLIC COMPOUND; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; FURANS; HETEROCYCLIC COMPOUNDS; HYDROCARBONS, FLUORINATED; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; THIOPHENES;

EID: 77954043262     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201000783     Document Type: Article

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