Determination of Structures and Energetics of Small- and Medium-Sized One-Carbon-Bridged Twisted Amides using ab Initio Molecular Orbital Methods: Implications for Amidic Resonance along the C-N Rotational Pathway

Journal of Organic Chemistry

Volumn 80, Issue 16, 2015, Pages 7905-7927

  Szostak, Roman ^a   Aubé, Jeffrey ^b   Szostak, Michal ^c  

^a UNIVERSITY OF WROC AW   (Poland)

^b University of North Carolina at Chapel Hill   (United States)

^c RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL ACTIVATION; MOLECULAR ORBITALS; ORBITAL CALCULATIONS; RESONANCE; SCAFFOLDS;

AB INITIO MOLECULAR ORBITAL METHODS; ELECTRONIC AND STRUCTURAL PROPERTIES; FRONTIER MOLECULAR ORBITALS; INFRARED FREQUENCIES; ORGANIC SYNTHESIS; RESONANCE ENERGIES; RESONANCE STABILIZATION; RESONANCE THEORY;

AMIDES;

CARBON; LACTAM; NITROGEN; AMIDE;

AB INITIO CALCULATION; ALKYLATION; ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; COVALENT BOND; ELECTRON TRANSPORT; ENERGY TRANSFER; HYDROGENOLYSIS; INFRARED RADIATION; INFRARED SPECTROSCOPY; IONIZATION; PROTON TRANSPORT; SUBSTITUTION REACTION; X RAY; CHEMISTRY; PARTICLE SIZE; QUANTUM THEORY; ROTATION;

AMIDES; MOLECULAR STRUCTURE; PARTICLE SIZE; QUANTUM THEORY; ROTATION;

EID: 84940173318     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/acs.joc.5b00881     Document Type: Article

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