Does 2-methylacetophenone comply with steric inhibition of resonance? A direct experimental proof of its nonplanar conformation from a joint ab initio/electron diffraction analysis

Journal of Organic Chemistry

Volumn 75, Issue 15, 2010, Pages 4939-4943

  Hnyk, Drahomír ^a   Samdal, Svein ^b   Exner, Otto ^c   Wann, Derek A ^d   Rankin, David W H ^d  

^a INSTITUTE OF INORGANIC CHEMISTRY   (Czech Republic)

^b UNIVERSITY OF OSLO   (Norway)

^c INSTITUTE OF MATHEMATICS   (Czech Republic)

^d UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ANTICLINAL STRUCTURE; BOND ANGLE; COMPUTATIONAL PROTOCOLS; DIFFRACTION ANALYSIS; GAS ELECTRON DIFFRACTION; GEOMETRICAL PARAMETERS; LONG RANGE CORRELATIONS; MOLECULAR SHAPES; NONPLANAR CONFORMATION; SPECTROSCOPIC INVESTIGATIONS; STERIC CROWDING; STERIC FACTOR; THEORETICAL INVESTIGATIONS; TORSIONAL ANGLE; UV SPECTRUM;

CONFORMATIONS; ELECTRON DIFFRACTION; RESONANCE; ULTRAVIOLET SPECTROSCOPY;

BOND LENGTH;

2 METHYLACETOPHENONE; ACETOPHENONE DERIVATIVE; CARBON; METHYL GROUP; OXYGEN; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFORMATION; DIPOLE; ELECTRON DIFFRACTION; GAS; REACTION ANALYSIS; STEREOSPECIFICITY; STRUCTURE ANALYSIS; ULTRAVIOLET SPECTROSCOPY;

EID: 77955156088     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo100291r     Document Type: Article

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