Bridged and Open Carbocation Structures as a Function of the Correlation Level in ab Initio Calculations:  The 4-Methyl-2-pentyl Cation

An investigation of the alkylation reaction of propene with the 2-propyl cation by ab initio density functional methods at the B3LYP/6-31G** level found a distorted trimethyl-1-protonated cyclopropane as an energy minimum along the reaction coordinate (intermediate) and an open ion, the 4-methyl-2-p...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2002-11, Vol.106 (47), p.11672-11675
Hauptverfasser:	Fǎrcaşiu, Dan, Lukinskas, Povilas, Pamidighantam, Sudhakar V
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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