Theoretical calculations for neighboring group participation in gas-phase elimination kinetics of 2-hydroxyphenethyl chloride and 2-methoxyphenethyl chloride

Theoretical calculation of the kinetics and mechanisms of gas‐phase elimination of 2‐hydroxyphenethyl chloride and 2‐methoxyphenethyl chloride has been carried out at the MP2/6‐31G(d,p), B3LYP/6‐31G(d,p), B3LYP/6‐31 + G(d,p), B3PW91/6‐31G(d,p) and CCSD(T) levels of the theory. The two substrates und...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of physical organic chemistry 2009-11, Vol.22 (11), p.1022-1029
Hauptverfasser:	Brusco, Yannely, Berroteran, Neydher, Loroño, Marcos, Córdova, Tania, Chuchani, Gabriel
Format:	Artikel
Sprache:	eng
Schlagworte:	2-hydroxyphenethyl chloride 2-methoxyphenethyl chloride ab initio DFT calculations gas-phase elimination kinetic mechanism
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!