Dynamic effects dictate the mechanism and selectivity of dehydration-rearrangement reactions of protonated alcohols [Me2 (R)CCH(OH2 )Me](+) (R=Me, Et, iPr) in the gas phase

Chemistry (Weinheim an der Bergstrasse, Germany)

Volumn 20, Issue 42, 2014, Pages 13742-13754

  de Souza, Miguel A F ^a   Ventura, Elizete ^a   do Monte, Silmar A ^a   Riveros, José M ^a   Longo, Ricardo L ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

dehydration; density functional calculations; molecular dynamics; reaction mechanisms; rearrangement

Indexed keywords

ALCOHOL DERIVATIVE; GAS; PROTON; WATER;

ALKYLATION; CHEMISTRY; GAS; MOLECULAR DYNAMICS; QUANTUM THEORY;

ALCOHOLS; ALKYLATION; GASES; MOLECULAR DYNAMICS SIMULATION; PROTONS; QUANTUM THEORY; WATER;

EID: 84930508926     PISSN: None     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201402617     Document Type: Article

References (0)