Effect of substituents on the strength of N-X (X = H, F, and Cl) bond dissociation energies: A high-level quantum chemical study

Journal of Physical Chemistry A

Volumn 115, Issue 21, 2011, Pages 5496-5504

  Oreilly, Robert J ^a   Karton, Amir ^a   Radom, Leo ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL SUBSTITUENT; BOND DISSOCIATION ENERGIES; CARBONYL MOIETY; DISSOCIATION REACTIONS; ELECTRON-DONATING; ELECTRON-WITHDRAWING SUBSTITUENTS; HALOGEN ATOMS; PROTONATED; QUANTUM CHEMICAL STUDIES; RADICAL STABILIZATION ENERGY; REACTANT MOLECULES; STABILIZATION ENERGY; SUBSTITUENT EFFECT; VINYL SUBSTITUENTS;

CHEMICAL BONDS; CHLORINE; DISSOCIATION; FUNCTIONAL GROUPS; HALOGENATION; MOLECULES; NITROGEN COMPOUNDS; PROTONATION; QUANTUM CHEMISTRY; STABILIZATION;

FLUORINE;

EID: 79957585326     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp203108e     Document Type: Article

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