A computational study of vicinal fluorination in 2,3- Difluorobutane: Implications for conformational control in alkane chains

Chemistry - A European Journal

Volumn 21, Issue 4, 2015, Pages 1682-1691

  Fox, Stephen J ^a   Gourdain, Stephanie ^a   Coulthurst, Anton ^a   Fox, Clare ^a   Kuprov, Ilya ^a   Essex, Jonathan W ^a   Skylaris, Chris Kriton ^a   Linclau, Bruno ^a  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

Computational chemistry; Conformational analysis; NMR spectroscopy; Organofluorine chemistry; Stereoelectronic effects

Indexed keywords

CHAINS; CHEMICAL ANALYSIS; COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; DIHEDRAL ANGLE; FLUORINE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

COMPUTATIONAL STUDIES; CONFORMATIONAL ANALYSIS; CONFORMATIONAL CONTROL; CONFORMATIONAL ENERGIES; ELECTRONIC ENERGIES; LINEAR CONFORMATION; ORGANOFLUORINE; STEREOELECTRONIC EFFECT;

CONFORMATIONS;

2-FLUOROBUTANE; ALKANE; BUTANE; FLUORINE;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HALOGENATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STEREOISOMERISM;

ALKANES; BUTANES; FLUORINE; HALOGENATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; STEREOISOMERISM;

EID: 84920973750     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201405317     Document Type: Article

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