Computational studies on azaphosphiridines, or how to effect ring-opening processes through selective bond activation

Chemistry - A European Journal

Volumn 17, Issue 11, 2011, Pages 3166-3178

  Espinosa, Arturo ^a   Streubel, Rainer ^b  

^a UNIVERSITY OF MURCIA   (Spain)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

ab initio calculations; heterocycles; nitrogen; phosphorus; ring expansion

Indexed keywords

AB INITIO CALCULATIONS; ACTIVATION PROCESS; BARRIER TO INVERSION; BOND ACTIVATION; BOND CLEAVAGES; BOND CRITICAL POINTS; BOND STRENGTH; CCSD; COMPARATIVE ANALYSIS; COMPUTATIONAL STUDIES; CONFIGURATIONALLY; ELECTRON DENSITIES; FORCE CONSTANTS; HETEROCYCLES; KINETICS AND THERMODYNAMICS; METAL CHLORIDES; NITROGEN ATOM; P-OXIDE; RELATIVE ENERGIES; RING EXPANSION; RING OPENING; RING OPENING REACTION; RING STRAINS; TO EFFECT; TRIMETHYL; VALENCE ISOMERIZATION;

CALCULATIONS; CHALCOGENIDES; CHLORINE COMPOUNDS; COPPER COMPOUNDS; ISOMERS; NITROGEN; PHASE EQUILIBRIA; TELLURIUM COMPOUNDS; THERMODYNAMICS;

PHOSPHORUS;

EID: 79952151241     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201002565     Document Type: Article

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